SCHEMBL4955532

SCHEMBL4955532

CNn1ccc2cc(O)c(N)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CB P42338 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ GAA P10253 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ RECQL P46063 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ THRB P10828 1/20 0.30

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
SCHEMBL4955526 0.93 PIK3CB (0.34) PIK3CBALDH1A1ALOX15HSD17B10PRKCI
SCHEMBL4949682 0.85 PRKCI (0.37) PIK3CBPRKCI
SCHEMBL4951985 0.85 ACHE (0.36) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL4953087 0.82 ALDH1A1 (0.35) PIK3CBALDH1A1ALOX15HSD17B10PRKCI
SCHEMBL4955559 0.82 ALDH1A1 (0.32) PIK3CBALDH1A1ALOX15HSD17B10PRKCI
SCHEMBL4953937 0.78 KDM4E (0.31) ALDH1A1MAPTKDM4E
SCHEMBL4953835 0.76 ALDH1A1 (0.32) PIK3CBALDH1A1ALOX15HSD17B10PRKCI
SCHEMBL4951929 0.76 ALDH1A1 (0.35) PIK3CBALDH1A1ALOX15HSD17B10PRKCI
SCHEMBL4953453 0.74 ROCK1 (0.35) ALDH1A1ALOX15HSD17B10GAAMEN1
SCHEMBL4951981 0.73 PRKCI (0.44) ALDH1A1ALOX15HSD17B10PRKCIGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 — — US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 — — US disclosed
CN-101010118-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-08-01 — — CN disclosed
EP-1781379-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 — — EP disclosed
WO-2006026495-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 — — WO disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C PIK3CB 1223/4885ALDH1A1 510/4885ALOX15 1098/4885

“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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