SCHEMBL4750814

SCHEMBL4750814

Cc1cccc(CCCOCCO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
KCNH2 Q12809 3/20 0.41
CHEK1 O14757 1/20 0.39
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
HSD17B3 P37058 1/20 0.35
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL681576 0.85 KCNH2 (0.49) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL14306289 0.85 KCNH2 (0.53) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL4752742 0.84 PPARG (0.41) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL14524676 0.84 KCNH2 (0.43) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL14305744 0.83 KCNH2 (0.46) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL4314841 0.83 KCNH2 (0.47) KCNH2SMN1; SMN2MEN1KMT2AOPRM1
SCHEMBL5659035 0.82 KCNH2 (0.41) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL14279078 0.81 HRH3 (0.44) PPARGGABRA1GABRG2GABRB3GABRA5
SCHEMBL20099859 0.81 KCNH2 (0.50) KCNH2SMN1; SMN2MEN1KMT2AOPRM1
SCHEMBL14499024 0.80 PPARG (0.41) PPARGGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed
US-7431793-B2 Process for bonding substrates or parts and system including cyanoacrylate adhesive and accelerator composition LOCTITE (R&D) LIMITED (IE) 2008-10-07 US disclosed
US-7431793-B2 Process for bonding substrates or parts and system including cyanoacrylate adhesive and accelerator composition LOCTITE (R&D) LIMITED (IE) 2008-10-07 US disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-7056925-B2 for example, N-{2-[benzyl(2-hydroxyethyl)amino]-5-bromophenyl)}-N'-(5-cyano-2-pyrazinyl)urea, N-{5-bromo-2-[(2-hydroxy-2-phenylethyl)(methyl)amino]phenyl}-N'-(5-cyano-2-pyrazinyl)urea; anticarcinogenic agents ABBOTT LABORATORIES (US) 2006-06-06 US disclosed
EP-1534692-A1 UREA DERIVATIVES AS KINASE INHIBITORS Abbott Laboratories (US) 2005-06-01 EP disclosed
US-20050000646-A1 Activator compositions for cyanocrylate adhesives Henkel IP & Holding GmbH (DE) 2005-01-06 US disclosed
US-20040259885-A1 Urea kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004014876-A1 UREA DERIVATIVES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-02-19 WO disclosed
US-20040034038-A1 Urea kinase inhibitors ABBOTT LABORATORIES 2004-02-19 US disclosed
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor ABBVIE INC. 2003-12-11 US disclosed
WO-2003070244-A1 ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
WO-2003042311-A1 ACTIVATOR COMPOSITIONS FOR CYANOACRYLATE ADHESIVES LOCTITE (R & D) LIMITED (IE) 2003-05-22 WO disclosed
EP-1092732-A2 Preparation of poly(meth)acrylates by anionic polymerisation in the presence of specific additives in toluene at higher temperatures RÖHM GMBH (DE) 2001-04-18 EP disclosed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US disclosed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO disclosed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 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 (3 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-20040034038-A1 Urea kinase inhibitors UCK2, CMPK1, CDK2 PPARG 3794/4885GABRA1 4488/4885GABRG2 4459/4885
US-20030229119-A1 Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor MCHR1, MCHR2, MC1R PPARG 1750/4885GABRA1 90/4885GABRG2 132/4885
US-20040259885-A1 Urea kinase inhibitors UCK2, CMPK1, CDK2 PPARG 3794/4885GABRA1 4488/4885GABRG2 4459/4885

“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.