SCHEMBL718797

SCHEMBL718797

Cn1c2ccccc2c2cc(C=O)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.64
GPR3 P46089 1/20 0.57
KDM4E B2RXH2 6/20 0.54
PSEN1 P49768 2/20 0.53
PSEN2 P49810 2/20 0.53
APH1B Q8WW43 2/20 0.53
NCSTN Q92542 2/20 0.53
APH1A Q96BI3 2/20 0.53
PSENEN Q9NZ42 2/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 3/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 4/20 0.50
APOBEC3A P31941 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL29570020 1.00 PTGER4 (0.64) PTGER4GPR3KDM4EPSEN1PSEN2
SCHEMBL31711447 0.91 CYP2A6 (0.53) PTGER4KDM4EPSEN1PSEN2APH1B
SCHEMBL2713434 0.91 CYP2A6 (0.53) PTGER4KDM4EPSEN1PSEN2APH1B
SCHEMBL11180624 0.89 GPR3 (0.57) PTGER4GPR3KDM4EPSEN1PSEN2
Thiosemicarbazide SCHEMBL28053857 0.86 PTGER4 (0.51) PTGER4GPR3KDM4EPSEN1PSEN2
SCHEMBL14366792 0.85 GPR3 (0.61) PTGER4GPR3KDM4EPSEN1PSEN2
SCHEMBL30489261 0.85 PTGER4 (0.50) PTGER4GPR3KDM4EPSEN1PSEN2
SCHEMBL4687926 0.82 PTGER4 (0.72) PTGER4KDM4EPSEN1PSEN2APH1B
SCHEMBL29749450 0.82 PTGER4 (0.72) PTGER4KDM4EPSEN1PSEN2APH1B
SCHEMBL22166470 0.82 PTGER4 (0.56) PTGER4KDM4EPSEN1PSEN2APH1B

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 441 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107935996-B 3, 4-dihydropyrimidine-2 (1H) - (sulfur) ketone compounds and preparation method thereof 陕西科技大学 2020-04-07 CN claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
US-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2010-02-18 US claimed
EP-2054012-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS Henkel AG & Co. KGaA (DE) 2009-05-06 EP claimed
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 US claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1909913-A1 METHOD FOR QUICKLY CONCEALING THE ROOTS OF HAIR THAT HAVE GROWN AFTER THE HAIR HAS BEEN DYED HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-04-16 EP claimed
WO-2008028861-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS HENKEL AG & CO. KGAA (DE) 2008-03-13 WO claimed
EP-1858476-A1 METHOD FOR INCREASING THE COLOR INTENSITY OF COLORATIONS ON KERATIN-CONTAINING SUBSTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-28 EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 US claimed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
WO-2001030312-A1 MEANS FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-03 WO claimed
EP-0473140-B1 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES (JP) 1995-11-15 EP claimed
US-5192579-A METHOD OF FORMING THIN FILM ON FIBER END SURFACE BY BREAKING IT IN A VACUUM SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1993-03-09 US claimed
EP-0473140-A2 Method of forming thin film on fiber end surface SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1992-03-04 EP claimed

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-20100037909-A1 SUBSTANCES FOR DYEING KERATINOUS FIBERS KRT18, H1-10, COL1A1 PTGER4 2154/4885GPR3 2892/4885KDM4E 1659/4885

“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.