SCHEMBL5036403

SCHEMBL5036403

Cn1ccc2c1cc(CCO)n2C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PRKCI P41743 1/20 0.32
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30
BRD4 O60885 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
SCHEMBL5036172 0.85 KDM4E (0.46) KDM4EHSD17B10PRKCIMAPTTDP1
SCHEMBL7295324 0.70 DAO (0.47) KDM4EALDH1A1HPGDMAPTRECQL
SCHEMBL5039906 0.70 KDM4E (0.50) KDM4EALDH1A1PRKCIMAPTTDP1
SCHEMBL30141649 0.66 POLB (0.37)
SCHEMBL5039586 0.66 KDM4E (0.46) KDM4EALDH1A1PRKCIMAPT
SCHEMBL14402849 0.66 PRKCI (0.50) KDM4EALDH1A1PRKCIMAPT
SCHEMBL13044504 0.65 MAOA (0.56) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL5041694 0.64 LPO (0.44) KDM4EALDH1A1PRKCIMAPT
SCHEMBL24188608 0.63 KDM4E (0.43) KDM4EALDH1A1PRKCIMAPT
SCHEMBL5040150 0.63 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDPRKCI

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP 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 KDM4E 1003/4885HSD17B10 342/4885ALDH1A1 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.