SCHEMBL3438404

SCHEMBL3438404

COc1cccc(/C=C2\CCCCC2=O)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
MAOB P27338 2/20 0.55
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
PDE4B Q07343 1/20 0.50
EGFR P00533 2/20 0.47
NFE2L2 Q16236 2/20 0.47
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GAA P10253 1/20 0.46
PLA2G1B P04054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MEN1 O00255 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46

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
SCHEMBL3438405 1.00 RAB9A (0.61) RAB9ANPC1CRHBPCRHR2MAOB
SCHEMBL1524404 0.97 CRHBP (0.61) RAB9ANPC1CRHBPCRHR2MAOB
SCHEMBL1524403 0.97 CRHBP (0.61) RAB9ANPC1CRHBPCRHR2MAOB
SCHEMBL17899573 0.87 CRHBP (0.76) RAB9ANPC1CRHBPCRHR2MAOB
SCHEMBL624342 0.87 CRHBP (0.76) RAB9ANPC1CRHBPCRHR2MAOB
SCHEMBL3438150 0.86 EGFR (0.59) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL3438149 0.86 EGFR (0.59) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL627251 0.84 CRHBP (0.81) RAB9ANPC1CRHBPCRHR2MAOB
SCHEMBL30825519 0.83 EGFR (0.63) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL9299869 0.83 EGFR (0.63) RAB9ANPC1CRHBPCRHR2ALDH1A1

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 RAB9A 1012/4885NPC1 4280/4885CRHBP 805/4885

“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.