SCHEMBL3075603

SCHEMBL3075603

OCC(C=Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ACP3 P15309 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL24258027 0.77 CYP2C19 (0.46) CYP2C19CYP1A2CYP2C9ALDH1A1ACP3
SCHEMBL3093850 0.72 HTR2A (0.44) CYP2C19CYP1A2CYP2C9ALDH1A1ACP3
SCHEMBL9352587 0.70 CYP2C19 (0.54) CYP2C19CYP1A2CYP2C9ALDH1A1ACP3
SCHEMBL8811520 0.69 CYP2C19 (0.52) CYP2C19CYP1A2CYP2C9ALDH1A1ACP3
SCHEMBL2894539 0.69 CYP2C19 (0.52) CYP2C19CYP1A2CYP2C9ALDH1A1ACP3
SCHEMBL29697536 0.69 CYP2C19 (0.52) CYP2C19CYP1A2CYP2C9ALDH1A1ACP3
SCHEMBL11688873 0.68 CYP1A2 (0.47) CYP1A2CYP2C9ALDH1A1MEN1KMT2A
SCHEMBL4339660 0.67 CYP2C19 (0.50) CYP2C19CYP1A2CYP2C9ALDH1A1ACP3
SCHEMBL11742196 0.67 CYP2C19 (0.50) CYP2C19CYP1A2CYP2C9ALDH1A1ACP3
SCHEMBL3412393 0.67 CYP1A2 (0.50) CYP2C19CYP1A2CYP2C9ALDH1A1ACP3

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-8674142-B2 Naphthenic hydrocarbon additives for diaryl phosphide salt formation PMC ORGANOMETALLIX, INC. (US) 2014-03-18 US disclosed
US-20100234642-A1 NAPHTHENIC HYDROCARBON ADDITIVES FOR DIARYL PHOSPHIDE SALT FORMATION ARKEMA INC. (US) 2010-09-16 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-20100234642-A1 NAPHTHENIC HYDROCARBON ADDITIVES FOR DIARYL PHOSPHIDE SALT FORMATION TST, TEC, NPM1 CYP2C19 3665/4885CYP1A2 1687/4885CYP2C9 2447/4885

“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.