SCHEMBL5351817

SCHEMBL5351817

COc1ccc(OC)c(Cc2ccc(N)c(C#N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.47
MAPK9 P45984 1/20 0.47
IDO1 P14902 2/20 0.46
ADRA1A P35348 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
HTR2A P28223 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.42
AOC3 Q16853 1/20 0.42
HSD17B10 Q99714 1/20 0.40
DHFR P00374 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL5350773 0.84 ALDH1A1 (0.47) IDO1TAAR1ALDH1A1GAAHTR2A
SCHEMBL9658342 0.83 GAA (0.57) IDO1ADRA1ATAAR1ALDH1A1GAA
SCHEMBL5361453 0.83 ALDH1A1 (0.49) IDO1TAAR1ALDH1A1GAAKDM4E
SCHEMBL5357864 0.82 CA2 (0.61) ALDH1A1GAAKDM4EUSP2CYP3A4
SCHEMBL5351272 0.80 LTA4H (0.48) IDO1TAAR1ALDH1A1GAAMAOB
SCHEMBL5359224 0.79 CALM1 (0.48) ALDH1A1GAAKDM4EUSP2CYP3A4
SCHEMBL404674 0.78 ALDH1A1 (0.52) ALDH1A1GAAKDM4EUSP2CYP3A4
SCHEMBL5361388 0.77 ALDH1A1 (0.57) ALDH1A1GAAHTR2AKDM4EUSP2
SCHEMBL11057646 0.74 CYP3A4 (0.48) ALDH1A1GAAKDM4EUSP2CYP3A4
SCHEMBL9177757 0.73 ALDH1A1 (0.51) IDO1ADRA1ATAAR1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256197-B2 Methods for synthesis of diarylmethanes DANA-FARBER CANCER INSTITUTE (US) 2007-08-14 US disclosed
US-20040267011-A1 Methods for synthesis of diarylmethanes DANA-FARBER CANCER INSTITUTE 2004-12-30 US disclosed
WO-2003031458-A1 METHODS FOR SYNTHESIS OF DIARYLMETHANES DANA-FARBER CANCER INSTITUTE (US) 2003-04-17 WO 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-20040267011-A1 Methods for synthesis of diarylmethanes DHFR, DPYD, DHODH MAPK8 2415/4885MAPK9 3844/4885IDO1 277/4885

“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.