SCHEMBL3438265

SCHEMBL3438265

O=C1CCCC/C1=C\c1ccccc1-c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.44
NR1I2 O75469 1/20 0.41
MAPT P10636 6/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
PKM P14618 2/20 0.39
LTK P29376 1/20 0.38
CDK5 Q00535 1/20 0.38
MST1R Q04912 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
HSD11B1 P28845 1/20 0.38
HPGD P15428 3/20 0.37
MAOB P27338 2/20 0.37

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
SCHEMBL3438268 1.00 ALDH1A1 (0.44) ALDH1A1HTTNR1I2MAPTNFKB1
SCHEMBL3438339 0.77 ALDH1A1 (0.54) ALDH1A1HTTMAPTNFKB1NFKB2
SCHEMBL3438340 0.77 ALDH1A1 (0.54) ALDH1A1HTTMAPTNFKB1NFKB2
SCHEMBL8885438 0.74 ALDH1A1 (0.59) ALDH1A1HTTMAPTNFKB1NFKB2
SCHEMBL8885443 0.74 ALDH1A1 (0.59) ALDH1A1HTTMAPTNFKB1NFKB2
SCHEMBL29281742 0.74 LTK (0.36) ALDH1A1HTTMAPTNFKB1NFKB2
SCHEMBL30968702 0.74 LTK (0.36) ALDH1A1HTTMAPTNFKB1NFKB2
SCHEMBL29936581 0.74 LTK (0.36) ALDH1A1HTTMAPTNFKB1NFKB2
SCHEMBL3438081 0.73 DYRK2 (0.57) ALDH1A1HTTMAPTNPC1RAB9A
SCHEMBL3438080 0.73 DYRK2 (0.57) ALDH1A1HTTMAPTNPC1RAB9A

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 2366/4885NR1I2 847/4885

“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.