SCHEMBL29389484

SCHEMBL29389484

COc1cc(C#N)c(-c2cc(C)cc(C)c2)c(C#N)c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.41
AR P10275 5/20 0.39
KDM4E B2RXH2 3/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PGR P06401 1/20 0.37
ERN1 O75460 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
FASN P49327 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 2/20 0.35
IMPDH2 P12268 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29392429 0.83 AR (0.42) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL15536667 0.82 MAOA (0.47) ARKDM4EALDH1A1PGRLMNA
SCHEMBL15535758 0.81 SELL (0.38) CNR2ARKDM4EALDH1A1KMT2A
SCHEMBL29392564 0.80 AR (0.42) ARKDM4EUSP2PGRLMNA
SCHEMBL15535914 0.79 ERN1 (0.47) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL29392561 0.79 KDM4E (0.44) ARKDM4EUSP2PGRLMNA
SCHEMBL15536114 0.78 AR (0.45) ARKDM4EALDH1A1PGRLMNA
SCHEMBL16969071 0.78 ERN1 (0.46) ARKDM4EUSP2ALDH1A1PGR
SCHEMBL29391740 0.78 HSD17B1 (0.42) ARPGRLMNAMAPK1HSD17B10
SCHEMBL29391998 0.78 KDM4E (0.43) ARKDM4EUSP2ALDH1A1PGR

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-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS ORION CORP (FI) 2022-02-17 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-20220047540-A1 CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS COMT, PNMT, HNMT CNR2 3371/4885AR 1837/4885KDM4E 576/4885

“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.