SCHEMBL3438341

SCHEMBL3438341

O=C1CCCC(c2ccccn2)/C1=C/c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 2/20 0.42
MAPT P10636 6/20 0.38
CYP1A2 P05177 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 3/20 0.37
TP53 P04637 2/20 0.36
DUSP1 P28562 1/20 0.36
DUSP6 Q16828 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
F3 P13726 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
SCHEMBL3438242 0.87 CYP1A2 (0.41) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL3438122 0.84 NPC1 (0.46) ALDH1A1MAPTHPGDL3MBTL1NPC1
SCHEMBL3438464 0.80 ALDH1A1 (0.49) DDB1CRBNALDH1A1HTTMAPT
SCHEMBL3438466 0.80 ALDH1A1 (0.49) DDB1CRBNALDH1A1HTTMAPT
SCHEMBL3438392 0.80 HTT (0.43) DDB1CRBNALDH1A1KDM4EHTT
SCHEMBL3438447 0.79 DDB1 (0.39) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL9877946 0.78 DDB1 (0.53) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL3438342 0.76 CYP19A1 (0.43) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
SCHEMBL4963182 0.75 DDB1 (0.55) DDB1CRBNALDH1A1KDM4EMAPT
SCHEMBL3437886 0.73 ALDH1A1 (0.42) ALDH1A1HTTMAPTCYP1A2SMN1; SMN2

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 2288/4885ALDH1A1 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.