SCHEMBL4077706

SCHEMBL4077706

CCc1c(C(=O)O)n(C)c2ccc(OC)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ATM Q13315 1/20 0.52
KDM4E B2RXH2 6/20 0.50
NQO2 P16083 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HSD17B10 Q99714 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.48
RAB9A P51151 1/20 0.48
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C1 Q04828 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10971041 0.81 MAPT (0.54) MAPTMEN1KMT2AATMKDM4E
SCHEMBL9956776 0.81 KDM4E (0.52) MAPTMEN1KMT2AATMKDM4E
SCHEMBL21096050 0.79 AKR1C3 (0.65) KDM4ENQO2MTNR1AMTNR1BHSD17B10
SCHEMBL18271503 0.78 PLA2G2A (0.56) MAPTMEN1KMT2AKDM4ENQO2
SCHEMBL18927384 0.78 ALDH1A1 (0.53) MAPTMEN1KMT2AKDM4ENQO2
SCHEMBL25225487 0.78 KDM4E (0.50) MAPTMEN1KMT2AATMKDM4E
SCHEMBL6456184 0.78 KDM4E (0.49) MAPTMEN1KMT2AATMKDM4E
SCHEMBL2272671 0.76 MEN1 (0.62) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9146163 0.76 KDM4E (0.48) MAPTMEN1KMT2AATMKDM4E
SCHEMBL2687074 0.76 PTGS2 (0.49) MAPTMEN1KMT2AATMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 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 (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-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 MAPT 2912/4885MEN1 4657/4885KMT2A 3673/4885

“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.