SCHEMBL103150

SCHEMBL103150

CC(=O)c1ccc2c(c1)CC(C)(C)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B1 P14061 1/20 0.41
SSTR5 P35346 1/20 0.41
RXRA P19793 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
AKR1B1 P15121 1/20 0.37

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
SCHEMBL10407993 0.88 MAPT (0.44) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL1093009 0.87 MAPT (0.47) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL2812534 0.87 RXRA (0.52) MAPTKDM4EKMT2APOLBSSTR5
SCHEMBL30026892 0.84 RXRA (0.50) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL6210627 0.84 RXRA (0.50) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL15947259 0.83 MAPT (0.47) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL20032580 0.80 KMO (0.37) MAPTKDM4EKMT2APOLBAPEX1
SCHEMBL13481991 0.80 MAPT (0.66) MAPTNPC1KDM4EKMT2AALDH1A1
SCHEMBL9873185 0.79 MAPT (0.38) MAPTKDM4EPOLBSSTR5RXRA
SCHEMBL2811130 0.79 CA12 (0.48) MAPTNPC1RAB9AKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 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 (2 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 MAPT 2589/4885NPC1 163/4885RAB9A 4113/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR MAPT 1455/4885NPC1 151/4885RAB9A 4527/4885

“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.