SCHEMBL4953458

SCHEMBL4953458

CCOn1ccc2ccc(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.42
KDM4E B2RXH2 6/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 3/20 0.38
GFER P55789 1/20 0.38
HTR6 P50406 3/20 0.35
BRPF1 P55201 1/20 0.35
RAD52 P43351 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HBB P68871 1/20 0.33

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
SCHEMBL27868389 0.86 PRKCI (0.55) PRKCIKDM4EMAPTALDH1A1GAA
SCHEMBL4949216 0.81 PRKCI (0.44) PRKCIKDM4EMAPTALDH1A1GAA
SCHEMBL4955241 0.81 KDM4E (0.35) PRKCIKDM4EMAPTHTR6RAD52
SCHEMBL4951873 0.80 PRKCI (0.35) PRKCIKDM4EMAPTALDH1A1MEN1
SCHEMBL4954024 0.79 MAOB (0.41) KDM4EMAPTALDH1A1GAAHTR6
SCHEMBL4952845 0.79 CDC7 (0.38) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL14578011 0.79 HTR2C (0.47) MAPTHTR6HTR2AHTR2C
SCHEMBL4955692 0.77 PRKCI (0.44) PRKCIKDM4EMAPTALDH1A1GAA
SCHEMBL4951558 0.75 ALDH1A1 (0.33) PRKCIKDM4EMAPTALDH1A1GAA
SCHEMBL14578006 0.75 CDC7 (0.43) KDM4EALDH1A1GAATSHRMEN1

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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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
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 PRKCI 916/4885KDM4E 261/4885MAPT 1139/4885

“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.