SCHEMBL2853713

SCHEMBL2853713

CCN(CC)c1ccc(N=C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
ALDH3A1 P30838 1/20 0.53
ALDH1A3 P47895 1/20 0.53
CYP3A4 P08684 3/20 0.50
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
GFER P55789 2/20 0.47
MAPK1 P28482 2/20 0.47
RECQL P46063 2/20 0.47
PSMD14 O00487 1/20 0.47
KDM4E B2RXH2 5/20 0.43
GAA P10253 3/20 0.43
CNR2 P34972 1/20 0.43
MEN1 O00255 9/20 0.42
KMT2A Q03164 9/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL5909497 0.91 CYP3A4 (0.67) ALDH1A1ALDH3A1ALDH1A3CYP3A4TSHR
SCHEMBL11430133 0.83 ALDH1A1 (0.50) ALDH1A1ALDH3A1ALDH1A3CYP3A4TSHR
SCHEMBL18600545 0.82 CNR2 (0.47) ALDH1A1CYP3A4TSHRMAPK1KDM4E
SCHEMBL3163386 0.81 CYP3A4 (0.54) ALDH1A1CYP3A4TSHRL3MBTL1TDP1
SCHEMBL1456966 0.80 P2RY6 (0.50) ALDH1A1ALDH3A1ALDH1A3CYP3A4TSHR
SCHEMBL11099185 0.78 ALDH1A1 (0.45) ALDH1A1ALDH3A1ALDH1A3CYP3A4TSHR
Butane SCHEMBL16872374 0.78 CYP3A4 (0.62) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL9232459 0.78 ALDH1A1 (0.49) ALDH1A1ALDH3A1ALDH1A3CYP3A4TSHR
SCHEMBL4902297 0.77 CYP3A4 (0.47) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL163992 0.77 TSHR (0.58) ALDH1A1CYP3A4TSHRL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807669-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-05 US disclosed
EP-1575911-B1 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2010-01-13 EP disclosed
US-20090062340-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-05 US disclosed
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-7452878-B2 Biaromatic compounds which activate PPARγ type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-11-18 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US disclosed
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 US disclosed
EP-1575911-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-21 EP disclosed
WO-1996000928-A1 CHROMOGENIC LEUCO REDOX-DYE-RELEASING COMPOUNDS FOR PHOTOTHERMOGRAPHIC ELEMENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-11 WO disclosed
EP-0689683-A1 YELLOW AND MAGENTA CHROMOGENIC LEUCO DYES FOR PHOTOTHERMOGRAPHIC ELEMENTS MINNESOTA MINING & MFG (US) 1996-01-03 EP disclosed
US-5470816-A Urea developers NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1995-11-28 US disclosed
US-5432041-A Yellow and magenta chromogenic leuco dyes for photothermographic elements MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-07-11 US disclosed
EP-0633145-A1 Thermal recording sheet NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1995-01-11 EP disclosed
WO-1994022052-A1 YELLOW AND MAGENTA CHROMOGENIC LEUCO DYES FOR PHOTOTHERMOGRAPHIC ELEMENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-09-29 WO disclosed
US-4405623-A HYPOTENSIVE AGENTS, VASODILATORS MASAYUKI ISHIKAWA (JP) 1983-09-20 US disclosed
EP-0040793-A1 Novel quinazoline-dione compounds, process for production thereof and pharmaceutical use thereof Ishikawa, Masayuki (JP) 1981-12-02 EP disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 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 (4 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-20090062340-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARA, PPARD ALDH1A1 531/4885ALDH3A1 725/4885ALDH1A3 644/4885
US-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ALDH1A1 549/4885ALDH3A1 503/4885ALDH1A3 295/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD ALDH1A1 531/4885ALDH3A1 725/4885ALDH1A3 644/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 ALDH1A1 549/4885ALDH3A1 503/4885ALDH1A3 295/4885

“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.