SCHEMBL3437871

SCHEMBL3437871

O=C1CCCC/C1=C/c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 4/20 0.56
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
PTPN1 P18031 3/20 0.56
POLB P06746 1/20 0.56
PPARG P37231 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
MAPT P10636 3/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
SIRT5 Q9NXA8 1/20 0.52
MMP3 P08254 1/20 0.52
MMP13 P45452 1/20 0.52
ENPP2 Q13822 1/20 0.48
GSK3B P49841 1/20 0.48

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
SCHEMBL3437872 1.00 ALDH1A1 (0.58) ALDH1A1HTTHPGDMAOAMAOB
SCHEMBL10742854 0.88 HPGD (0.60) ALDH1A1HTTHPGDMAOAMAOB
SCHEMBL10742846 0.88 HPGD (0.60) ALDH1A1HTTHPGDMAOAMAOB
SCHEMBL10743967 0.88 HPGD (0.60) ALDH1A1HTTHPGDMAOAMAOB
SCHEMBL3438311 0.85 MAOB (0.58) ALDH1A1HTTMAOAMAOBMMP13
SCHEMBL3438309 0.85 MAOB (0.58) ALDH1A1HTTMAOAMAOBMMP13
SCHEMBL3437924 0.82 ALDH1A1 (0.69) ALDH1A1HTTHPGDMAPTRAB9A
SCHEMBL3437923 0.82 ALDH1A1 (0.69) ALDH1A1HTTHPGDMAPTRAB9A
SCHEMBL3438448 0.81 ALDH1A1 (0.67) ALDH1A1HTTHPGDMAPTRAB9A
SCHEMBL3438446 0.81 ALDH1A1 (0.67) ALDH1A1HTTHPGDMAPTRAB9A

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 2366/4885HPGD 474/4885

“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.