SCHEMBL5035904

SCHEMBL5035904

COc1cc2occc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A1 P04798 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2A6 P11509 2/20 0.33
TSHR P16473 2/20 0.33
MAOA P21397 2/20 0.33
CYP2C19 P33261 2/20 0.33
PGR P06401 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNA2 P16389 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HSD17B10 Q99714 1/20 0.33
XPO1 O14980 1/20 0.32
MAPT P10636 1/20 0.32
KCNA3 P22001 1/20 0.32
MAPK1 P28482 2/20 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
SCHEMBL5036768 0.79 KMT2A (0.34) KDM4ECYP3A4ALDH1A1ADORA3CYP1A2
SCHEMBL5039591 0.72
SCHEMBL5039451 0.69 CYP2A6 (0.47) ALDH1A1CYP2A6HSD17B10MAPTHPGD
SCHEMBL19964465 0.69 CYP2A6 (0.47) CYP3A4CYP2A6CYP2C19CYP2C9
SCHEMBL5036056 0.68
SCHEMBL17104854 0.68 ALDH1A1 (0.30) ALDH1A1HSD17B10HPGD
SCHEMBL5039863 0.67 CYP2A6 (0.32) CYP2A6MAPT
SCHEMBL29239834 0.65 CA2 (0.57) CYP3A4ALDH1A1CYP1A2CYP2A6TSHR
SCHEMBL3478461 0.64 RAB9A (0.40) KDM4ECYP3A4ALDH1A1CYP1A2CYP2A6
SCHEMBL12269053 0.64 XPO1 (0.36) KDM4EALDH1A1CYP1B1HSD17B10XPO1

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 8 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
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 1003/4885CYP3A4 564/4885ALDH1A1 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.