SCHEMBL7654722

SCHEMBL7654722

Cc1c(Oc2ccccc2)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
CYP2A6 P11509 3/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
NCEH1 Q6PIU2 1/20 0.50
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL218881 0.88 CYP2A6 (0.58) TSHRCYP2A6MAPTCYP1A2NCEH1
SCHEMBL25969601 0.82 MAPT (0.61) TSHRCYP2A6MAPTCYP1A2LMNA
SCHEMBL10006897 0.81 LTA4H (0.55) TSHRCYP1A2LMNAHTTHSD17B10
SCHEMBL11566452 0.80 PPARG (0.59) CYP1A2NCEH1KDM4EKMT2AHPGD
SCHEMBL11579591 0.79 NCEH1 (0.49) TSHRCYP2A6MAPTCYP1A2NCEH1
SCHEMBL1052575 0.78 MAPT (0.52) TSHRCYP2A6MAPTCYP1A2HSD17B10
SCHEMBL25205 0.78 MAPT (0.67) TSHRCYP2A6MAPTCYP1A2NCEH1
SCHEMBL2242408 0.77 MAPT (0.46) TSHRCYP2A6MAPTLMNAHSD17B10
SCHEMBL7654717 0.77 MAPT (0.46) TSHRCYP2A6MAPTCYP1A2LMNA
SCHEMBL10978313 0.77 NCEH1 (0.50) TSHRCYP2A6MAPTCYP1A2NCEH1

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
WO-2021108683-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2021-06-03 WO disclosed
US-20150368213-A1 Novel Inhibitors of System Xc- THE UNIVERSITY OF MONTANA 2015-12-24 US disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 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 (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-20150368213-A1 Novel Inhibitors of System Xc- SLC7A11, SLC1A1, SLC1A2 TSHR 1576/4885CYP2A6 2721/4885MAPT 970/4885

“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.