SCHEMBL13018239

SCHEMBL13018239

COc1cc(Cl)c([C@@H](OC(=O)n2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.44
CYP24A1 Q07973 1/20 0.42
ADRA2C P18825 2/20 0.41
MAPT P10636 1/20 0.39
CYP2C9 P11712 6/20 0.38
CYP3A4 P08684 4/20 0.38
LMNA P02545 3/20 0.38
CYP19A1 P11511 2/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
NR1I2 O75469 2/20 0.37
EGFR P00533 2/20 0.37
NR3C1 P04150 2/20 0.37
ERBB2 P04626 2/20 0.37
CYP17A1 P05093 2/20 0.37
FYN P06241 2/20 0.37
PGR P06401 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37

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
SCHEMBL13018229 0.78 MAPT (0.43) IDO1MAPTLMNACNR1KCNH2
SCHEMBL3785779 0.78 MAPT (0.43) IDO1MAPTLMNACNR1KCNH2
SCHEMBL13018236 0.75 MAPT (0.43) IDO1MAPTLMNACNR1KCNH2
SCHEMBL3783970 0.74 ABL1 (0.40) IDO1MAPTCYP2C9CYP3A4LMNA
SCHEMBL3779050 0.74 MAPT (0.39) IDO1MAPTLMNACNR1MEN1
SCHEMBL16525942 0.72 MGLL (0.38) MAPTCNR1MEN1KMT2A
SCHEMBL13018237 0.70 GAA (0.39) IDO1MAPTCNR1KCNH2MEN1
SCHEMBL3787689 0.70 MAPT (0.43) MAPTLMNAMEN1KMT2A
SCHEMBL11137218 0.68 ADRA2C (0.51) IDO1ADRA2CMAPTCYP2C9CYP3A4
SCHEMBL11137213 0.68 ADRA2C (0.51) IDO1ADRA2CMAPTCYP2C9CYP3A4

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-7858825-B2 Acid and base stable diphenylmethanol derivatives and methods of use COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-20080200719-A1 Acid and base stable diphenylmethanol derivatives and methods of use COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2008-08-21 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-20080200719-A1 Acid and base stable diphenylmethanol derivatives and methods of use DPYD, DHODH, DAO IDO1 1149/4885CYP24A1 1645/4885ADRA2C 4141/4885

“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.