SCHEMBL5044375

SCHEMBL5044375

CCOc1cc2[nH]ccc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
ESR2 Q92731 1/20 0.40
PSMB8 P28062 1/20 0.33
NQO1 P15559 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL5131356 0.93 MAPT (0.36) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL5036913 0.78 MEN1 (0.42) HSD17B10ALDH1A1MAPTHPGDMEN1
SCHEMBL2594052 0.69 PDGFRB (0.50) HSD17B10ALDH1A1MAPTHPGDMEN1
SCHEMBL5039656 0.68 DAO (0.41) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL5039855 0.68
SCHEMBL5044209 0.67 ALDH1A1 (0.34) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL826361 0.67 LOXL2 (0.54) HSD17B10ALDH1A1MAPTHPGDMEN1
SCHEMBL5035893 0.67 DAO (0.42) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL4275041 0.67 NQO1 (0.48) HSD17B10ALDH1A1MAPTHPGDESR2
SCHEMBL5040004 0.66

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 3 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-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B HSD17B10 342/4885ALDH1A1 492/4885MAPT 439/4885

“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.