SCHEMBL3438263

SCHEMBL3438263

COc1ccccc1/C=C1/CC(C2CCCC2)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 1/20 0.52
EGFR P00533 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
ACHE P22303 1/20 0.44
LMNA P02545 2/20 0.44
MIF P14174 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAT1 P18440 1/20 0.42
ABCB1 P08183 1/20 0.40
HPGD P15428 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL3438264 1.00 NPC1 (0.52) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL3437873 0.99 NPC1 (0.51) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL3437874 0.99 NPC1 (0.51) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL3438526 0.90 NPC1 (0.55) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL3438528 0.90 NPC1 (0.55) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL3438317 0.89 NPC1 (0.54) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL3438319 0.89 NPC1 (0.54) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL3438129 0.83 GAA (0.49) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL3438127 0.83 GAA (0.49) NPC1RAB9AEGFRALDH1A1MAPT
SCHEMBL3438031 0.82 ALDH1A1 (0.48) NPC1RAB9AEGFRALDH1A1MAPT

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 NPC1 4280/4885RAB9A 1012/4885EGFR 3278/4885

“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.