SCHEMBL5044665

SCHEMBL5044665

CCOc1cc2[nH]cnc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
MMP12 P39900 1/20 0.32
QPCT Q16769 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 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
SCHEMBL5046574 0.81 MMP12 (0.41) KDM4EALDH1A1MMP12QPCTMAPT
SCHEMBL5036788 0.69
SCHEMBL5044209 0.68 ALDH1A1 (0.34) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL5036807 0.67 QPCT (0.31) KDM4EALDH1A1QPCTMAPT
SCHEMBL5044197 0.66 KDM4E (0.33) HCAR2KDM4EALDH1A1HPGDNPC1
SCHEMBL5036541 0.64 ALDH1A1 (0.33) HCAR2KDM4EALDH1A1HPGDNPC1
SCHEMBL3162533 0.61 MMP12 (0.50) KDM4EALDH1A1HPGDMMP12NPC1
SCHEMBL3162546 0.61 MMP12 (0.69) KDM4EALDH1A1HPGDMMP12QPCT
SCHEMBL5044235 0.61 HTT (0.39) KDM4EMMP12NPC1RAB9AMAPT
SCHEMBL21241301 0.60 KDM4E (0.35) KDM4EALDH1A1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-9812315-B2 Treating solution for electronic parts, and process for producing electronic parts FINE POLYMERS CORPORATION (JP) 2017-11-07 US disclosed
US-20150279654-A1 TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS FINE POLYMERS CORPORATION (JP) 2015-10-01 US disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 WO 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B HCAR2 4016/4885KDM4E 1003/4885ALDH1A1 492/4885

“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.