SCHEMBL3244649

SCHEMBL3244649

COc1ccc(CCc2ccc(N)cc2N)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ APLNR P35414 1/20 0.51
▸ ADRA1A P35348 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ CYP19A1 P11511 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44

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
SCHEMBL9827146 0.84 CYP19A1 (0.69) MAPTMAPK1GAATSHRHTT
SCHEMBL3251668 0.82 CYP19A1 (0.57) MAPTMAPK1GAATSHRHTT
SCHEMBL626051 0.81 TAAR1 (0.73) APLNRADRA1ATAAR1
Hydrochloric Acid SCHEMBL3249498 0.81 CYP19A1 (0.56) MAPTMAPK1GAATSHRHTT
SCHEMBL5217973 0.78 TAAR1 (0.62) MAPTMAPK1GAATSHRALDH1A1
SCHEMBL30107392 0.77 APLNR (0.63) MAPTALDH1A1CYP3A4APLNRADRA1A
SCHEMBL10644538 0.77 TDP1 (0.55) MAPTMAPK1GAATSHRHTT
SCHEMBL10890416 0.76 CASP1 (0.46) MAPTMAPK1GAATSHRHTT
SCHEMBL14193179 0.76 CYP19A1 (0.69) MAPTMAPK1GAATSHRHTT
SCHEMBL22828094 0.76 TUBB4A (0.61) APLNRTAAR1CYP19A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 — — EP claimed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US claimed
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 — — US claimed
EP-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 — — EP disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 — — US 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-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants DDT, NQO1, MDH2 MAPT 2944/4885MAPK1 1071/4885GAA 3912/4885

“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.

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