SCHEMBL3438402

SCHEMBL3438402

COc1ccc(C=C2C(=O)CCCC2c2ccncc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
CYP19A1 P11511 8/20 0.42
MAPT P10636 2/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MIF P14174 1/20 0.42
DYRK1A Q13627 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
CLK1 P49759 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
SCHEMBL3438204 0.89 MAPT (0.48) CYP1A2NPC1RAB9AKMT2AKDM4E
SCHEMBL3438205 0.89 MAPT (0.48) CYP1A2NPC1RAB9AKMT2AKDM4E
SCHEMBL3438133 0.87 CYP19A1 (0.44) CYP1A2NPC1RAB9AKMT2AKDM4E
SCHEMBL3437959 0.86 NPC1 (0.48) CYP1A2NPC1RAB9AKMT2ACYP2D6
SCHEMBL3438392 0.84 HTT (0.43) CYP1A2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3438100 0.82 CYP1A2 (0.42) CYP1A2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3437902 0.82 CYP1A2 (0.42) CYP1A2NPC1RAB9AKMT2AKDM4E
SCHEMBL3438242 0.81 CYP1A2 (0.41) CYP1A2NPC1RAB9AKMT2AKDM4E
SCHEMBL3437869 0.80 ALDH1A1 (0.43) CYP1A2NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3438099 0.80 ALDH1A1 (0.43) CYP1A2NPC1RAB9AKMT2ASMN1; SMN2

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-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 US disclosed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 EP 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-20080194882-A1 Process For Production of 2-Benzylphenol Compound CYP1B1, CYP4B1, CYP1A1 CYP1A2 17/4885NPC1 4280/4885RAB9A 1012/4885

“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.