SCHEMBL3438513

SCHEMBL3438513

COc1ccccc1C=C1C(=O)CCCC1c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1B1 Q16678 1/20 0.41
EGFR P00533 1/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
CYP19A1 P11511 4/20 0.39
NAT1 P18440 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS2 P35354 2/20 0.38
MIF P14174 1/20 0.38
PTGS1 P23219 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
SCHEMBL3438070 0.93 KDM4E (0.42) CYP1A2EGFRKMT2AALDH1A1MAPT
SCHEMBL3438069 0.93 KDM4E (0.42) CYP1A2EGFRKMT2AALDH1A1MAPT
SCHEMBL3437969 0.90 CYP3A4 (0.41) CYP1A2CYP1A1CYP2D6CYP1B1EGFR
SCHEMBL3438447 0.85 DDB1 (0.39) EGFRKMT2AALDH1A1MAPTKDM4E
SCHEMBL3438224 0.84 MAPK1 (0.39) CYP1A2EGFRKMT2AALDH1A1MAPT
SCHEMBL3437897 0.84 EGFR (0.38) CYP1A2EGFRKMT2AALDH1A1MAPT
SCHEMBL3438281 0.82 KMT2A (0.40) EGFRKMT2AALDH1A1MAPTKDM4E
SCHEMBL3437906 0.82 KMT2A (0.40) EGFRKMT2AALDH1A1MAPTKDM4E
SCHEMBL3438145 0.81 EGFR (0.44) EGFRKMT2AALDH1A1MAPTKDM4E
SCHEMBL3438392 0.81 HTT (0.43) CYP1A2CYP2D6ALDH1A1MAPTKDM4E

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 17/4885CYP1A1 3/4885CYP2D6 19/4885

“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.