SCHEMBL1611530

SCHEMBL1611530

[CH]=CCCc1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
GPR84 Q9NQS5 1/20 0.40
DAO P14920 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
CHRM2 P08172 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
P2RX7 Q99572 1/20 0.36
CYP2A13 Q16696 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.34

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
SCHEMBL1612132 0.88 TAAR1 (0.50) TAAR1GPR84DAOCA12CA1
SCHEMBL1609668 0.86 TAAR1 (0.48) TAAR1GPR84DAOCA12CA1
SCHEMBL1610286 0.84 TAAR1 (0.47) TAAR1GPR84DAOCA12CA1
SCHEMBL1611149 0.84 TAAR1 (0.47) TAAR1GPR84DAOCA12CA1
SCHEMBL1610613 0.83 ESR1 (0.39) TAAR1CA1CA2CA7CA9
SCHEMBL2372931 0.80 TAAR1 (0.56) TAAR1GPR84DAOCA12CA1
SCHEMBL16440133 0.78 TAAR1 (0.54) TAAR1GPR84DAOCA12CA1
SCHEMBL1240981 0.78 TAAR1 (0.54) TAAR1GPR84DAOCA12CA1
SCHEMBL6082977 0.78 TAAR1 (0.54) TAAR1GPR84DAOCA12CA1
SCHEMBL67347 0.78 TAAR1 (0.54) TAAR1GPR84DAOCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-7071359-B1 Neuropathy improvers containing nitrogenous compounds as the active ingredient TEIJIN LIMITED (JP) 2006-07-04 US disclosed
EP-1201235-B1 NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT TEIJIN LTD (JP) 2005-10-12 EP disclosed
EP-1201235-A1 NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT TEIJIN LIMITED (JP) 2002-05-02 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 TAAR1 772/4885GPR84 4196/4885DAO 1841/4885

“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.