SCHEMBL15599255

SCHEMBL15599255

CCc1ccc2c(c1)OC(C)(C)C2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
MAOB P27338 4/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 2/20 0.34
EPAS1 Q99814 2/20 0.34
TRPA1 O75762 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
OGA O60502 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8225530 0.86 HIF1A (0.44) PARP1TRPM8MAOBMAPTHIF1A
SCHEMBL11358788 0.84 CNR2 (0.38) TRPM8MAOBMAPTKDM4EALDH1A1
SCHEMBL30523622 0.80 MAOB (0.35) TRPM8MAOBMAPTKDM4EALDH1A1
SCHEMBL8959298 0.79 AKR1B1 (0.43) TRPM8MAPTKDM4EALDH1A1HIF1A
SCHEMBL20766460 0.78 TRPM8 (0.39) TRPM8MAOBMAPTKDM4EALDH1A1
SCHEMBL28076877 0.76 HRH3 (0.42) MAOBHIF1AEPAS1PIM1PIM3
SCHEMBL12180466 0.76 KDM4E (0.38) MAOBMAPTKDM4EALDH1A1ATM
SCHEMBL19029897 0.74 MAOB (0.39) MAOBMAPTKDM4EALDH1A1PIM1
SCHEMBL659413 0.74 MAOB (0.39) MAOBMAPTKDM4EALDH1A1HIF1A
SCHEMBL282032 0.74 ALDH1A1 (0.60) MAPTKDM4EALDH1A1OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
WO-2014153037-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-25 WO disclosed
WO-2014144545-A2 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-09-18 WO disclosed
WO-2014008458-A2 N-SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2014-01-09 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-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 PARP1 2445/4885TRPM8 3001/4885MAOB 143/4885

“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.