SCHEMBL4180793

SCHEMBL4180793

COc1cccc(CC(O)(C(=O)Nc2ccc(C#N)c(Cl)c2)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.48
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
USP2 O75604 1/20 0.43
NPY2R P49146 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL13909250 1.00 AR (0.48) ARALDH1A1KDM4EMAPTUSP2
SCHEMBL4168220 0.90 AR (0.50) ARKDM4EMAPTLMNAGAA
SCHEMBL13909246 0.90 AR (0.50) ARKDM4EMAPTLMNAGAA
SCHEMBL4184243 0.90 AR (0.45) ARKDM4EMAPTLMNAGAA
SCHEMBL14144349 0.88 AR (0.54) ARALDH1A1LMNAGAA
SCHEMBL4170436 0.88 AR (0.54) ARALDH1A1LMNAGAA
SCHEMBL13909244 0.88 AR (0.54) ARALDH1A1LMNAGAA
SCHEMBL4167637 0.88 AR (0.48) ARALDH1A1MAPTHIF1A
Methoxymethane SCHEMBL4167633 0.88 MRGPRX4 (0.51) ARALDH1A1LMNAGAA
SCHEMBL13909408 0.88 AR (0.48) ARALDH1A1MAPTHIF1A

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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 AR 145/4885ALDH1A1 695/4885KDM4E 1525/4885

“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.