SCHEMBL2601403

SCHEMBL2601403

O=C(O)/C=C/c1ccc(O)c(CO)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.66
AKR1B10 O60218 4/20 0.66
AKR1B1 P15121 4/20 0.66
MMP2 P08253 6/20 0.66
KDM4E B2RXH2 4/20 0.66
MMP9 P14780 4/20 0.66
HSD17B10 Q99714 3/20 0.66
CA12 O43570 3/20 0.66
CA1 P00915 3/20 0.66
CA2 P00918 3/20 0.66
CA3 P07451 3/20 0.66
CA4 P22748 3/20 0.66
CA6 P23280 3/20 0.66
CA5A P35218 3/20 0.66
CA7 P43166 3/20 0.66
CA9 Q16790 3/20 0.66
CA14 Q9ULX7 3/20 0.66
CA5B Q9Y2D0 3/20 0.66
NFKB1 P19838 2/20 0.66
DPP4 P27487 2/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12555874 1.00 AKR1C3 (0.66) AKR1C3AKR1B10AKR1B1MMP2KDM4E
SCHEMBL29395741 1.00 AKR1C3 (0.66) AKR1C3AKR1B10AKR1B1MMP2KDM4E
SCHEMBL19511929 0.87 AKR1C3 (0.62) AKR1C3AKR1B10AKR1B1MMP2KDM4E
SCHEMBL19511928 0.87 AKR1C3 (0.62) AKR1C3AKR1B10AKR1B1MMP2KDM4E
SCHEMBL10632283 0.86 AKR1C3 (0.70) AKR1C3AKR1B10AKR1B1MMP2KDM4E
SCHEMBL13663908 0.86 MMP9 (0.76) AKR1C3AKR1B10AKR1B1MMP2KDM4E
SCHEMBL14389635 0.86 KDM4E (0.66) AKR1C3AKR1B10AKR1B1MMP2KDM4E
SCHEMBL10898075 0.86 EGFR (0.56) AKR1C3AKR1B10AKR1B1MMP2KDM4E
SCHEMBL10898081 0.86 EGFR (0.56) AKR1C3AKR1B10AKR1B1MMP2KDM4E
SCHEMBL12593153 0.85 IAPP (0.67) AKR1C3AKR1B10AKR1B1MMP2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016719-A1 TOPICAL COMPOSITIONS AND METHODS MARY KAY INC. 2024-01-18 US disclosed
US-11779532-B2 Topical compositions and methods MARY KAY INC. (US) 2023-10-10 US disclosed
US-20230285336-A1 COMPOSITION FOR PREVENTION AND TREATMENT OF SKIN DISEASES CAUSED BY GENETIC MUTATION COMPRISING FERULIC ACID AND ANALOGS THEREOF UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2023-09-14 US disclosed
CN-114105807-B Hydroxycyclohexanamide compound and preparation method and application thereof 暨南大学 2023-08-18 CN disclosed
US-11717549-B2 Steviol glycoside solubility enhancers CARGILL, INCORPORATED (US) 2023-08-08 US disclosed
US-20230226028-A1 ANTIVIRAL THERAPY WITH IMIQUIMOD AND COCRYSTALS THEREOF CELISTA PHARMACEUTICALS LLC 2023-07-20 US disclosed
US-20230133290-A1 ACTIVE MIXURE SYMRISE AG (DE) 2023-05-04 US disclosed
CN-114105807-A Hydroxycyclohexane diamide compound and preparation method and application thereof 暨南大学 2022-03-01 CN disclosed
US-20180216063-A1 THREE-DIMENSIONAL VASCULAR NETWORK ASSEMBLY FROM INDUCED PLURIPOTENT STEM CELLS THE JOHNS HOPKINS UNIVERSITY 2018-08-02 US disclosed
US-20180200224-A1 Antiviral Activity from Medicinal Mushrooms and Their Active Constituents TURTLE BEAR HOLDINGS, LLC 2018-07-19 US disclosed
WO-2013034746-A1 ANTI-INFLAMMATORY COMPOSITIONS COMPRISING MALVIDIN - 3 - O - BETA-GLUCOSIDE AND A PROPOLIS EXTRACT Université Bordeaux Segalen (FR) 2013-03-14 WO disclosed
US-20120276596-A1 MODIFIED BIOMATERIAL, USES THEREOF AND MODIFICATION METHODS TEKNOLOGIAN TUTKIMUSKESKUS VTT (FI) 2012-11-01 US disclosed
US-20120276596-A1 MODIFIED BIOMATERIAL, USES THEREOF AND MODIFICATION METHODS TEKNOLOGIAN TUTKIMUSKESKUS VTT (FI) 2012-11-01 US disclosed
US-20120138789-A1 Phosphonium-Based Ionic Liquids and Uses LOS ALAMOS NATIONAL SECURITY, LLC (US) 2012-06-07 US disclosed
US-20120094973-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS NATIONAL TAIWAN UNIVERSITY (TW) 2012-04-19 US disclosed
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS MONASH UNIVERSITY (AU) 2012-03-01 US disclosed
US-20110224260-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS NATIONAL TAIWAN UNIVERSITY (TW) 2011-09-15 US disclosed
US-20110159121-A1 METHODS AND COMPOSITIONS FOR IDENTIFYING, PRODUCING AND USING PLANT-DERIVED PRODUCTS FOR MODULATING CELL FUNCTION AND AGING LifeSpan Extension, LLC 2011-06-30 US disclosed
US-20110144143-A1 PHARMACEUTICAL COMPOSITION CONTAINING FERULIC ACID AND MATRINE COMPOUNDS, THE PREPARATION AND THE USE THEREOF QINGDAO QIYUAN BIO-TECHNOLOGIES CO., LTD. (CN) 2011-06-16 US disclosed
US-20070282422-A1 Medical devices and methods for local delivery of elastin-stabilizing compounds COOK INCORPORATED 2007-12-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240016719-A1 TOPICAL COMPOSITIONS AND METHODS CUTA, TYR, TPH1 AKR1C3 2228/4885AKR1B10 2363/4885AKR1B1 2296/4885
US-20120094973-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A8 AKR1C3 949/4885AKR1B10 582/4885AKR1B1 637/4885
US-20230285336-A1 COMPOSITION FOR PREVENTION AND TREATMENT OF SKIN DISEASES CAUSED BY GENETIC MUTATION COMPRISING FERULIC ACID AND ANALOGS THEREOF BRCA1, VHL, TSG101 AKR1C3 648/4885AKR1B10 1004/4885AKR1B1 732/4885
US-20110224260-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A8 AKR1C3 949/4885AKR1B10 582/4885AKR1B1 637/4885
US-20120052757-A1 MOLECULARLY IMPRINTED POLYMERS IPMK, MPI, PIM3 AKR1C3 1493/4885AKR1B10 1477/4885AKR1B1 1341/4885
US-20230133290-A1 ACTIVE MIXURE GUSB, MMP8, IDUA AKR1C3 3248/4885AKR1B10 2344/4885AKR1B1 3412/4885
US-11717549-B2 Steviol glycoside solubility enhancers SI, TAS2R7, TAS2R31 AKR1C3 3982/4885AKR1B10 1821/4885AKR1B1 3071/4885
US-20180216063-A1 THREE-DIMENSIONAL VASCULAR NETWORK ASSEMBLY FROM INDUCED PLURIPOTENT STEM CELLS HIF1A, EGLN3, EPAS1 AKR1C3 4496/4885AKR1B10 4805/4885AKR1B1 4757/4885
US-20230226028-A1 ANTIVIRAL THERAPY WITH IMIQUIMOD AND COCRYSTALS THEREOF ME1, CS, ME2 AKR1C3 368/4885AKR1B10 1213/4885AKR1B1 605/4885
US-11779532-B2 Topical compositions and methods RARA, TYR, PPARA AKR1C3 3934/4885AKR1B10 4722/4885AKR1B1 4251/4885
US-20180200224-A1 Antiviral Activity from Medicinal Mushrooms and Their Active Constituents MAVS, STING1, ZC3HAV1 AKR1C3 4591/4885AKR1B10 4417/4885AKR1B1 4496/4885
US-20110159121-A1 METHODS AND COMPOSITIONS FOR IDENTIFYING, PRODUCING AND USING PLANT-DERIVED PRODUCTS FOR MODULATING CELL FUNCTION AND AGING TFAM, POLRMT, CS AKR1C3 3054/4885AKR1B10 3092/4885AKR1B1 2767/4885
US-20120138789-A1 Phosphonium-Based Ionic Liquids and Uses SRMS, PHOSPHO1, TRMT1L AKR1C3 4845/4885AKR1B10 4415/4885AKR1B1 4820/4885
US-20110144143-A1 PHARMACEUTICAL COMPOSITION CONTAINING FERULIC ACID AND MATRINE COMPOUNDS, THE PREPARATION AND THE USE THEREOF MATR3, FER, FIBP AKR1C3 2013/4885AKR1B10 2165/4885AKR1B1 2448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.