SCHEMBL3438281

SCHEMBL3438281

COc1ccccc1/C=C1\C(=O)CCCC1c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAT1 P18440 1/20 0.39
EGFR P00533 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.36
MIF P14174 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL3437906 1.00 KMT2A (0.40) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3438513 0.82 CYP1A2 (0.41) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3438070 0.82 KDM4E (0.42) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3438069 0.82 KDM4E (0.42) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3438224 0.81 MAPK1 (0.39) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3437869 0.81 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL3438099 0.81 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL3438049 0.79 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1TP53CYP3A4
SCHEMBL3437886 0.79 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1TP53CYP3A4
SCHEMBL3438145 0.78 EGFR (0.44) KMT2AMEN1ALDH1A1MAPTMAPK1

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 KMT2A 1919/4885MEN1 3844/4885ALDH1A1 1026/4885

“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.