SCHEMBL4094098

SCHEMBL4094098

COC(=O)CNC(=N)N.N=C(N)NCCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.49
PRMT1 Q99873 1/20 0.47
RECQL P46063 1/20 0.46
PLA2G2A P14555 1/20 0.45
TSHR P16473 1/20 0.44
ITGB3 P05106 3/20 0.44
ITGA2B P08514 3/20 0.44
POLB P06746 2/20 0.43
EPHX2 P34913 8/20 0.42
PLA2G4A P47712 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1360401 0.85 PRMT1 (0.63) ADRA1APRMT1RECQLPLA2G2ATSHR
SCHEMBL5533492 0.85 PRMT1 (0.63) ADRA1APRMT1RECQLPLA2G2ATSHR
SCHEMBL5536342 0.85 PRMT1 (0.63) ADRA1APRMT1RECQLPLA2G2ATSHR
SCHEMBL5531367 0.85 PRMT1 (0.63) ADRA1APRMT1RECQLPLA2G2ATSHR
SCHEMBL5533323 0.85 PRMT1 (0.63) ADRA1APRMT1RECQLPLA2G2ATSHR
SCHEMBL5535128 0.85 PRMT1 (0.63) ADRA1APRMT1RECQLPLA2G2ATSHR
SCHEMBL5536799 0.85 PRMT1 (0.63) ADRA1APRMT1RECQLPLA2G2ATSHR
SCHEMBL5538332 0.85 PRMT1 (0.63) ADRA1APRMT1RECQLPLA2G2ATSHR
SCHEMBL5535532 0.85 PRMT1 (0.63) ADRA1APRMT1RECQLPLA2G2ATSHR
SCHEMBL1298943 0.85 PRMT1 (0.63) ADRA1APRMT1RECQLPLA2G2ATSHR

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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA ADRA1A 2192/4885PRMT1 65/4885RECQL 321/4885

“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.