SCHEMBL3438342

SCHEMBL3438342

O=C1CCCC(c2cccnc2)C1=Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP11B2 P19099 2/20 0.41
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 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
SCHEMBL3438466 0.86 ALDH1A1 (0.49) MAPTHTTSMN1; SMN2GAAALDH1A1
SCHEMBL3438464 0.86 ALDH1A1 (0.49) MAPTHTTSMN1; SMN2GAAALDH1A1
SCHEMBL3438133 0.86 CYP19A1 (0.44) CYP19A1MAPTRAB9ACYP11B2GAA
SCHEMBL3438392 0.85 HTT (0.43) CYP19A1MAPTHTTRAB9ASMN1; SMN2
SCHEMBL3438125 0.83 NPC1 (0.47) CYP19A1MAPTRAB9ACYP11B2ALDH1A1
SCHEMBL3437969 0.80 CYP3A4 (0.41) CYP19A1RAB9AMAPK1GAAALDH1A1
SCHEMBL3438341 0.76 DDB1 (0.45) MAPTHTTRAB9ASMN1; SMN2MAPK1
SCHEMBL3438292 0.75 ALDH1A1 (0.41) MAPTHTTSMN1; SMN2GAAALDH1A1
SCHEMBL3437933 0.75 ALDH1A1 (0.41) CYP19A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL3438205 0.74 MAPT (0.48) MAPTRAB9AATMMAPK1ALDH1A1

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 CYP19A1 34/4885MAPT 4506/4885HTT 2366/4885

“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.