SCHEMBL4656173

SCHEMBL4656173

COC(=O)CC(O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 6/20 0.55
MMP13 P45452 4/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP14 P50281 1/20 0.55
DPP4 P27487 1/20 0.55
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.49
CTSG P08311 1/20 0.48
CTRB1 P17538 1/20 0.48
TRPA1 O75762 1/20 0.48
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4654958 0.84 MAPT (0.47) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4206102 0.83 TSHR (0.53) MMP12TSHRCTSGCTRB1CA12
SCHEMBL14338691 0.83 TSHR (0.53) MMP12TSHRCTSGCTRB1CA12
SCHEMBL7633821 0.83 ABCB1 (0.57) POLBTRPA1ALDH1A1
SCHEMBL7084641 0.82 PTGER1 (0.47) POLBGAAMEN1KMT2A
SCHEMBL7084643 0.82 PTGER1 (0.47) POLBGAAMEN1KMT2A
SCHEMBL8170975 0.82 DPP4 (0.49) MMP12DPP4TSHRCTSGCTRB1
SCHEMBL8170979 0.82 DPP4 (0.49) MMP12DPP4TSHRCTSGCTRB1
SCHEMBL7284686 0.82 DPP4 (0.49) MMP12DPP4TSHRCTSGCTRB1
Hydrochloric Acid SCHEMBL27562896 0.82 MMP12 (0.54) MMP12MMP13MMP2MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound WENZHOU UNIVERSITY (CN) 2021-02-02 US disclosed
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound WENZHOU UNIVERSITY (CN) 2021-02-02 US disclosed
CN-109734600-B Synthesis method of chiral beta-hydroxy acid ester compound 温州大学 2020-09-15 CN disclosed
US-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND WENZHOU UNIVERSITY (CN) 2020-06-18 US disclosed
US-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND WENZHOU UNIVERSITY (CN) 2020-06-18 US disclosed
CN-109734600-A A kind of synthetic method of chiral beta carboxylic acid ester type compound 温州大学 2019-05-10 CN disclosed
EP-1113033-B1 Polyhydroxyalkanoate CANON KK (JP) 2008-11-26 EP disclosed
EP-1188782-B1 Polyhydroxyalkanoate and manufacturing method thereof CANON KK (JP) 2007-04-04 EP disclosed
US-7169598-B2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
CN-1870955-A Kavalactone compositions and methods of use KAVA PHARMACEUTICALS INC (US) 2006-11-29 CN disclosed
US-20030060633-A1 Asymmetric synthesis of kavalactones SYNTA PHARMACEUTICALS CORP. 2003-03-27 US disclosed
WO-2003013542-A1 ASYMMETRIC SYNTHESIS OF KAVALACTONES KAVA PHARMACEUTICALS, INC. (US) 2003-02-20 WO disclosed
US-20020192241-A1 Methods of using kavalactone compositions SYNTA PHARMACEUTICALS CORP. 2002-12-19 US disclosed
US-20020187169-A1 Kavalactone compositions SYNTA PHARMACEUTICALS CORP. 2002-12-12 US disclosed
WO-2002091966-A1 KAVALACTONE COMPOSITIONS AND METHODS OF USE KAVA PHARMACEUTICALS, INC. (US) 2002-11-21 WO disclosed
US-20020160467-A1 Polyhydroxyalkanoate and manufacturing method thereof CANON KABUSHIKI KAISHA (JP) 2002-10-31 US disclosed
EP-1188782-A2 Polyhydroxyalkanoate and manufacturing method thereof CANON KABUSHIKI KAISHA (JP) 2002-03-20 EP disclosed
US-20020022253-A1 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2002-02-21 US disclosed
CN-1321695-A Poly(hydroxy alkanoate), its preparation method and use of microbe in its preparation CANON KK (JP) 2001-11-14 CN disclosed
EP-1113033-A2 Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same CANON KABUSHIKI KAISHA (JP) 2001-07-04 EP 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 (5 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-20200190013-A1 METHOD FOR SYNTHESIZING CHIRAL BETA-HYDROXY ACID ESTER COMPOUND HSD11B1, HACL2, HAAO MMP12 1163/4885MMP13 1760/4885MMP2 1610/4885
US-20020187169-A1 Kavalactone compositions KLK14, KLHL20, KLHL6 MMP12 1285/4885MMP13 2485/4885MMP2 2322/4885
US-10906860-B2 Method for synthesizing chiral beta-hydroxy acid ester compound HSD11B1, HACL2, HAAO MMP12 1163/4885MMP13 1760/4885MMP2 1610/4885
US-20020192241-A1 Methods of using kavalactone compositions KHK, KLK4, KLK14 MMP12 2053/4885MMP13 2088/4885MMP2 1834/4885
US-20030060633-A1 Asymmetric synthesis of kavalactones GNE, KLK14, ALG8 MMP12 4104/4885MMP13 4312/4885MMP2 4187/4885

“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.