SCHEMBL3438477

SCHEMBL3438477

O=C1CC(c2ccccn2)CC/C1=C/c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 6/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.41
F3 P13726 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 2/20 0.36
XBP1 P17861 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
MAOB P27338 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
SCHEMBL3438480 1.00 ALDH1A1 (0.45) ALDH1A1HTTMAPTHPGDCYP1A2
SCHEMBL3438390 0.90 ALDH1A1 (0.46) ALDH1A1HTTMAPTHPGDCYP1A2
SCHEMBL3438135 0.87 KMT2A (0.46) ALDH1A1MAPTCYP1A2NPC1RAB9A
SCHEMBL3438131 0.87 KMT2A (0.46) ALDH1A1MAPTCYP1A2NPC1RAB9A
SCHEMBL3438452 0.84 NPC1 (0.51) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL3438455 0.84 NPC1 (0.51) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL3438525 0.80 ALDH1A1 (0.53) ALDH1A1HTTMAPTHPGDCYP1A2
SCHEMBL3438527 0.80 ALDH1A1 (0.53) ALDH1A1HTTMAPTHPGDCYP1A2
SCHEMBL3437972 0.79 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL3437968 0.79 ALDH1A1 (0.42) ALDH1A1MAPTNPC1RAB9AKDM4E

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 ALDH1A1 1026/4885HTT 2366/4885MAPT 4506/4885

“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.