SCHEMBL2498564

SCHEMBL2498564

COC(=O)CC(C)(C)c1cccc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
NLRP3 Q96P20 2/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
HSP90AB1 P08238 1/20 0.39
LMNA P02545 1/20 0.39
SPR P35270 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KIF11 P52732 1/20 0.37
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL17700298 0.84 POLB (0.44) CYP3A4NLRP3HSD17B1HSD17B2ALDH1A1
SCHEMBL2495720 0.84 CYP3A4 (0.39) CYP3A4NLRP3HSD17B1HSD17B2HSP90AB1
SCHEMBL22165427 0.83 TSHR (0.41) CYP3A4CNR1CNR2ALDH1A1KDM4E
SCHEMBL20669809 0.83 MEN1 (0.42) CYP3A4CNR1LMNAALDH1A1KDM4E
SCHEMBL2501365 0.83 LMNA (0.46) LMNACYP1A2
SCHEMBL6885186 0.82 CNR1 (0.54) CYP3A4CNR1CNR2NLRP3HSD17B1
SCHEMBL156185 0.81 KCNN4 (0.50) LMNAALDH1A1KDM4EKCNN4CYP2C19
SCHEMBL27985669 0.80 KIF11 (0.43) CYP3A4NLRP3HSD17B1HSD17B2ESR1
SCHEMBL433693 0.80 SHBG (0.50) CYP3A4CNR1CNR2HSP90AB1LMNA
Acetic Acid SCHEMBL6405973 0.78 KCNN4 (0.47) LMNAALDH1A1KDM4EKCNN4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
CN-102083783-A Substituted biphenyl GPR40 modulators AMGEN INC 2011-06-01 CN disclosed
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 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 (1 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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 CYP3A4 436/4885CNR1 152/4885CNR2 116/4885

“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.