SCHEMBL3241812

SCHEMBL3241812

COc1cc(CCc2ccc(N)cc2N)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.62
▸ TSHR P16473 2/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ LMNA P02545 1/20 0.60
▸ GLA P06280 1/20 0.60
▸ PTPN1 P18031 2/20 0.59
▸ CYP19A1 P11511 3/20 0.54
▸ NOS2 P35228 1/20 0.54
▸ AKR1B1 P15121 1/20 0.51
▸ ALOX5 P09917 1/20 0.51
▸ OR51E2 Q9H255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ FOS P01100 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ JUN P05412 1/20 0.49
▸ NR3C1 P04150 1/20 0.49
▸ HSD17B1 P14061 1/20 0.49
▸ HSD17B2 P37059 1/20 0.49

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
SCHEMBL10412135 0.84 CYP19A1 (0.74) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL29604390 0.82 PTPN1 (0.82) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL17780116 0.82 PTPN1 (0.82) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL14193179 0.82 CYP19A1 (0.69) TSHRMAPK1CYP19A1
SCHEMBL29740697 0.81 PTPN1 (0.79) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL3251668 0.78 CYP19A1 (0.57) TAAR1TSHRMAPK1CYP19A1CYP3A4
SCHEMBL68386 0.77 TAAR1 (1.00) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL29365033 0.77 TAAR1 (1.00) TAAR1TSHRMAPK1LMNAGLA
Hydrochloric Acid SCHEMBL3249498 0.77 CYP19A1 (0.56) TAAR1TSHRMAPK1CYP19A1CYP3A4
SCHEMBL31337421 0.77 PTPN1 (0.59) TAAR1TSHRMAPK1LMNAGLA

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 9 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
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 — — WO 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 TAAR1 1637/4885TSHR 4522/4885MAPK1 1071/4885

“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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