SCHEMBL18251700

SCHEMBL18251700

Cc1cc(O)cc(CNC(=O)C(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 2/20 0.55
▸ ERCC4 Q92889 2/20 0.55
▸ CARM1 Q86X55 2/20 0.39
▸ PRMT6 Q96LA8 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PTGES O14684 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TACR1 P25103 1/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMO Q99835 1/20 0.36

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
SCHEMBL20428059 0.90 ERCC1 (0.57) ERCC1ERCC4CARM1PRMT6MAOB
SCHEMBL18251698 0.82 ERCC1 (0.50) ERCC1ERCC4CARM1PRMT6PTGES
SCHEMBL18251695 0.82 ERCC1 (0.50) ERCC1ERCC4CARM1PRMT6PTGES
SCHEMBL21565748 0.78 TACR1 (0.53) ERCC1ERCC4TACR1
SCHEMBL28276130 0.77 CARM1 (0.45) ERCC1ERCC4CARM1PRMT6MAOB
SCHEMBL15831231 0.77 ERCC1 (0.64) ERCC1ERCC4KMT2ACYP2D6CYP2C9
SCHEMBL12757442 0.77 ERCC1 (0.59) ERCC1ERCC4ALDH1A1KMT2ACYP2D6
SCHEMBL18887748 0.75 ERCC1 (0.67) ERCC1ERCC4KMT2AMEN1CYP2D6
SCHEMBL12757443 0.75 KMT2A (0.63) ERCC1ERCC4ALDH1A1KMT2AMEN1
SCHEMBL14827285 0.75 LMNA (0.45) ERCC1ERCC4CARM1PRMT6PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656962-B2 Ring-contracted morphinans and the use thereof PURDUE PHARMA L.P. (US) 2017-05-23 — — US disclosed
US-20160340316-A1 RING-CONTRACTED MORPHINANS AND THE USE THEREOF PURDUE PHARMA L.P. 2016-11-24 — — 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-20160340316-A1 RING-CONTRACTED MORPHINANS AND THE USE THEREOF OPRM1, OPRL1, OPRK1 ERCC1 4732/4885ERCC4 4747/4885CARM1 897/4885

“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.

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