SCHEMBL3438667

SCHEMBL3438667

COc1ccc(C=C2C(=O)CCCC2CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.46
CCR6 P51684 2/20 0.43
HSP90AA1 P07900 1/20 0.43
DYRK1A Q13627 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
CLK1 P49759 2/20 0.42
EGFR P00533 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.41
PIM1 P11309 1/20 0.40
AKR1B1 P15121 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRNA7 P36544 1/20 0.38
MIF P14174 1/20 0.38
METAP1 P53582 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
SCHEMBL3438666 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9AKMT2ACCR6
SCHEMBL3438353 0.89 CYP1A2 (0.49) CYP1A2NPC1RAB9AKMT2ACCR6
SCHEMBL3438355 0.89 CYP1A2 (0.49) CYP1A2NPC1RAB9AKMT2ACCR6
SCHEMBL3438645 0.87 NPC1 (0.49) CYP1A2NPC1RAB9AKMT2ACCR6
SCHEMBL3438647 0.87 NPC1 (0.49) CYP1A2NPC1RAB9AKMT2ACCR6
SCHEMBL3437898 0.85 HSP90AA1 (0.53) NPC1RAB9AKMT2ACCR6HSP90AA1
SCHEMBL3437896 0.85 HSP90AA1 (0.53) NPC1RAB9AKMT2ACCR6HSP90AA1
SCHEMBL3438054 0.82 ALDH1A1 (0.46) CYP1A2MAPTALDH1A1MIF
SCHEMBL3438052 0.82 ALDH1A1 (0.46) CYP1A2MAPTALDH1A1MIF
SCHEMBL3438138 0.81 KMT2A (0.54) CYP1A2NPC1RAB9AKMT2ADYRK1A

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.