SCHEMBL3589441

SCHEMBL3589441

O=C1Cc2cccc3ccc(O)c1c23

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 4/20 0.55
KDM4E B2RXH2 2/20 0.55
TSHR P16473 4/20 0.50
CYP3A4 P08684 3/20 0.50
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 1/20 0.47
HPN P05981 1/20 0.47
ALOX5 P09917 1/20 0.47
THRB P10828 1/20 0.47
PTGS1 P23219 1/20 0.47
PDE4A P27815 1/20 0.47
KDR P35968 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10978653 0.88 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL12023101 0.85 CYP3A4 (0.64) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL11202556 0.80 ALDH1A1 (0.46) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL3578018 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL30067310 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL30067484 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL30067599 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL3579482 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL29662156 0.78 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ETSHRCYP3A4
SCHEMBL28310603 0.78 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ETSHRCYP3A4

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-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 ALDH1A1 63/4885HPGD 2876/4885KDM4E 3547/4885

“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.