SCHEMBL5872088

SCHEMBL5872088

Cc1c(Br)ccc(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.39
TRPA1 O75762 3/20 0.39
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
PIM1 P11309 1/20 0.35
ADAMTS4 O75173 1/20 0.35
EGFR P00533 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
FYN P06241 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
HPGD P15428 1/20 0.35
MMP8 P22894 1/20 0.35
CA6 P23280 1/20 0.35
CDK2 P24941 1/20 0.35
MMP12 P39900 1/20 0.35
RECQL P46063 1/20 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
SCHEMBL1765685 0.81 TRPA1 (0.40) ALOX15TRPA1ALOX12ALDH1A1TDP1
SCHEMBL3033935 0.79 GABRA1 (0.33) ALOX15ALOX12ALDH1A1TDP1HPGD
SCHEMBL6062069 0.79 ALDH1A1 (0.41) ALOX15TRPA1ALOX12ALDH1A1TDP1
SCHEMBL12865508 0.79 ALOX15 (0.39) ALOX15TRPA1ALOX12ALDH1A1TDP1
SCHEMBL31288526 0.79 ALDH1A1 (0.43) ALOX15TRPA1ALOX12ALDH1A1TDP1
SCHEMBL3363162 0.79 ALDH1A1 (0.43) ALOX15TRPA1ALOX12ALDH1A1TDP1
SCHEMBL31290749 0.77 TRPA1 (0.46) ALOX15TRPA1ALDH1A1TDP1PIM1
SCHEMBL3708636 0.77 TRPA1 (0.46) ALOX15TRPA1ALDH1A1TDP1PIM1
SCHEMBL2602667 0.75 ESR1 (0.36) ALOX15TRPA1ALOX12ALDH1A1TDP1
SCHEMBL19406096 0.75 ALDH1A1 (0.36) ALOX15ALDH1A1TDP1CA1CA2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100395244-C Quinolone carboxylic acid derivatives or their salts TOYAMA CHEMICAL CO LTD (JP) 2008-06-18 CN disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
CN-1100053-C Quinolone carboxylic acid derivatives or their salts TOYAMA CHEMICAL CO LTD (JP) 2003-01-29 CN disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 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 (3 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-20020019531-A1 Indoles INMT, MUSK, MB ALOX15 2990/4885TRPA1 3079/4885ALOX12 3594/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 ALOX15 1536/4885TRPA1 2987/4885ALOX12 1589/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 ALOX15 4134/4885TRPA1 3239/4885ALOX12 4357/4885

“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.