SCHEMBL3438447

SCHEMBL3438447

COc1ccccc1/C=C1\C(=O)CCCC1c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NFE2L2 Q16236 1/20 0.39
EGFR P00533 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAT1 P18440 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3438513 0.85 CYP1A2 (0.41) EGFRALDH1A1KDM4EKMT2AMEN1
SCHEMBL3438069 0.82 KDM4E (0.42) EGFRALDH1A1KDM4EKMT2AMEN1
SCHEMBL3438070 0.82 KDM4E (0.42) EGFRALDH1A1KDM4EKMT2AMEN1
SCHEMBL3438242 0.82 CYP1A2 (0.41) DDB1CRBNEGFRALDH1A1KDM4E
SCHEMBL3437969 0.80 CYP3A4 (0.41) EGFRALDH1A1KDM4EKMT2AMEN1
SCHEMBL3438341 0.79 DDB1 (0.45) DDB1CRBNALDH1A1KDM4EKMT2A
SCHEMBL3438122 0.79 NPC1 (0.46) EGFRALDH1A1KMT2AMEN1MAPT
SCHEMBL3438145 0.78 EGFR (0.44) NFE2L2EGFRALDH1A1KDM4EKMT2A
SCHEMBL3438147 0.78 EGFR (0.44) NFE2L2EGFRALDH1A1KDM4EKMT2A
SCHEMBL3438269 0.77 MAPK1 (0.41) EGFRALDH1A1KDM4EKMT2AMEN1

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 DDB1 2571/4885CRBN 2288/4885NFE2L2 62/4885

“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.