SCHEMBL3438537

SCHEMBL3438537

CCCCOc1cccc(C=C2CCCCC2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.51
TLR4 O00206 1/20 0.51
TLR2 O60603 1/20 0.51
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 4/20 0.45
MAOB P27338 4/20 0.45
BCHE P06276 3/20 0.44
ACHE P22303 3/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR18 Q14330 1/20 0.43
XDH P47989 2/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL3438037 0.95 EGFR (0.49) EGFRTLR4TLR2ALDH1A1HTT
SCHEMBL3438036 0.95 EGFR (0.49) EGFRTLR4TLR2ALDH1A1HTT
SCHEMBL3438378 0.94 EGFR (0.52) EGFRTLR4TLR2ALDH1A1HTT
SCHEMBL3437964 0.88 EGFR (0.55) EGFRALDH1A1HTTMAOAMAOB
SCHEMBL3437962 0.88 EGFR (0.55) EGFRALDH1A1HTTMAOAMAOB
SCHEMBL3438479 0.85 MAPT (0.54) EGFRALDH1A1HTTNPC1RAB9A
SCHEMBL11506906 0.83 EGFR (0.56) EGFRALDH1A1HTTMAOAMAOB
SCHEMBL11506904 0.83 EGFR (0.56) EGFRALDH1A1HTTMAOAMAOB
SCHEMBL11506980 0.82 EGFR (0.55) EGFRALDH1A1HTTNPC1RAB9A
SCHEMBL11506984 0.82 EGFR (0.55) EGFRALDH1A1HTTNPC1RAB9A

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 EGFR 3278/4885TLR4 663/4885TLR2 463/4885

“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.