SCHEMBL6576832

SCHEMBL6576832

CC(C)C(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.56
TAAR1 Q96RJ0 3/20 0.52
SLC6A2 P23975 1/20 0.52
ESR1 P03372 4/20 0.50
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
ESR2 Q92731 3/20 0.50
LMNA P02545 2/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
ALB P02768 1/20 0.50
ALOX5 P09917 1/20 0.50
RARB P10826 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50

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
SCHEMBL30468820 0.87 SLC7A5 (0.55) SLC7A5TAAR1SLC6A2ESR1PTGS1
SCHEMBL12864780 0.85 KMT2A (0.55) ESR1PTGS1PTGS2LMNACYP2C9
SCHEMBL15222219 0.85 KMT2A (0.55) ESR1PTGS1PTGS2LMNACYP2C9
SCHEMBL5511480 0.84 SLC1A3 (0.63) SLC7A5PTGS1FOLH1ACESLC1A3
SCHEMBL883357 0.84 SLC1A3 (0.63) SLC7A5PTGS1FOLH1ACESLC1A3
SCHEMBL25132188 0.83 PTGS1 (0.58) ESR1PTGS1PTGS2LMNACYP2C9
SCHEMBL11551473 0.83 PPARG (0.51) SLC6A2ESR1PTGS1PTGS2LMNA
SCHEMBL21261466 0.83 TAAR1 (0.55) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL12184990 0.83 TAAR1 (0.55) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL12873863 0.83 CPB2 (0.49) SLC7A5ESR1PTGS1PTGS2LMNA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
US-20210284621-A1 CANNABINOIDS AND USES THEREOF CORBUS PHARMACEUTICALS, INC. 2021-09-16 US disclosed
WO-2019104851-A4 BETA-HYDROXYBUTYRYL-AMINO ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 刘成 2019-08-15 WO disclosed
US-9145425-B2 Cephem compound having catechol group SHIONOGI & CO., LTD. (JP) 2015-09-29 US disclosed
US-9115083-B2 Compounds from Antrodia cinnamomea and use thereof SIMPSON BIOTECH CO., LTD. (TW) 2015-08-25 US disclosed
US-8883773-B2 Cephem compound having pseudo-catechol group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
US-20140179753-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF SIMPSON BIOTECH CO., LTD. (TW) 2014-06-26 US disclosed
US-8703968-B2 Compounds from Antrodia cinnamomea and use thereof SIMPSON BIOTECH CO., LTD. (TW) 2014-04-22 US disclosed
US-20130225649-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF SIMPSON BIOTECH CO., LTD. (TW) 2013-08-29 US disclosed
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-04-25 US disclosed
US-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-03-28 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS GENETIC TECHNOLOGIES LIMITED (AU) 2010-06-03 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
EP-1313559-A4 RECYCLABLE METATHESIS CATALYSTS TRUSTEES BOSTON COLLEGE (US) 2004-02-04 EP disclosed
EP-1313559-A2 RECYCLABLE METATHESIS CATALYSTS Trustees of Boston College (US) 2003-05-28 EP disclosed
WO-2002014376-A2 RECYCLABLE METATHESIS CATALYSTS TRUSTEES OF BOSTON COLLEGE (US) 2002-02-21 WO 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 (10 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-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP CENPE, CCNE2, CEP170 SLC7A5 65/4885TAAR1 3338/4885SLC6A2 252/4885
US-20210284621-A1 CANNABINOIDS AND USES THEREOF CNR2, CNR1, FAAH SLC7A5 4783/4885TAAR1 579/4885SLC6A2 1644/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 SLC7A5 2902/4885TAAR1 4862/4885SLC6A2 3140/4885
US-20130225649-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF HAVCR2, CYP51A1, NPC1 SLC7A5 3463/4885TAAR1 4151/4885SLC6A2 3164/4885
US-20100137294-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING INVERTEBRATE PESTS PPP1R10, TASP1, PPP5C SLC7A5 4173/4885TAAR1 1561/4885SLC6A2 4122/4885
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP COMT, EZH1, SETD7 SLC7A5 33/4885TAAR1 3869/4885SLC6A2 236/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS SLC7A5 4773/4885TAAR1 4267/4885SLC6A2 2111/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS SLC7A5 4773/4885TAAR1 4267/4885SLC6A2 2111/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS SLC7A5 4773/4885TAAR1 4267/4885SLC6A2 2111/4885
US-20140179753-A1 COMPOUNDS FROM ANTRODIA CINNAMOMEA AND USE THEREOF HAVCR2, CYP51A1, NPC1 SLC7A5 3463/4885TAAR1 4151/4885SLC6A2 3164/4885

“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.