SCHEMBL368698

SCHEMBL368698

C=CCNC(C=C)OC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL15524572 0.83 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL278237 0.82 TSHR (0.40) ALDH1A1TSHRTHRBNPSR1
SCHEMBL3737147 0.78 TSHR (0.41) ALDH1A1TSHRTHRB
SCHEMBL11279516 0.77 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL170037 0.76 TSHR (0.35) ALDH1A1TSHR
SCHEMBL2044651 0.73 TSHR (0.31) TSHR
SCHEMBL28391183 0.70 TSHR (0.38) ALDH1A1TSHRTHRB
SCHEMBL27385530 0.70 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL7644159 0.69 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL1435127 0.69 ALDH1A1 (0.44) ALDH1A1TSHRTHRBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1330502-B1 COATING COMPOSITION VALSPAR SOURCING INC (US) 2004-06-02 EP claimed
EP-1330502-A2 COATING COMPOSITION Valspar Sourcing, Inc. (US) 2003-07-30 EP claimed
WO-2002036692-A2 COATING COMPOSITION VALSPAR SOURCING, INC. (US) 2002-05-10 WO claimed
US-20120014887-A1 NEW COMPOUNDS, IN PARTICULAR PEPTIDES, COMPOSITIONS COMPRISING THEM AND COSMETIC AND DERMO-PHARMACEUTICAL USES SEDERMA (FR) 2012-01-19 US disclosed
CN-101249996-B Organic high polymer coagulant preparation method UNIV SICHUAN NORMAL 2011-07-20 CN disclosed
CN-101249996-A Organic high polymer coagulant and preparation method thereof UNIV SICHUAN NORMAL (CN) 2008-08-27 CN disclosed
US-20070248558-A1 Hair styling composition in the form of a microemulsion THE PROCTER & GAMBLE COMPANY (US) 2007-10-25 US disclosed
WO-2007013006-A2 HAIR STYLING COMPOSITION IN THE FORM OF A MICROEMULSION THE PROCTER & GAMBLE COMPANY (US) 2007-02-01 WO disclosed
EP-1747802-A1 Hair styling composition in the form of a microemulsion Wella Aktiengesellschaft (DE) 2007-01-31 EP disclosed
US-7037954-B2 Ocular lens material MENICON CO., LTD. (JP) 2006-05-02 US disclosed
EP-1197782-B1 MATERIAL FOR OCULAR LENS MENICON CO LTD (JP) 2004-06-02 EP disclosed
EP-1276453-A2 PHASE-SEPARATED RINSE-OFF HAIR COLORING/CLEANSING PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2003-01-22 EP disclosed
US-6509417-B1 Automobile finishes and paints LILLY INDUSTRIES, INC. 2003-01-21 US disclosed
US-20020198280-A1 Material for ocular lens MENICON CO., LTD. (JP) 2002-12-26 US disclosed
EP-1197782-A1 MATERIAL FOR OCULAR LENS MENICON CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001078671-A2 PHASE-SEPARATED RINSE-OFF HAIR COLORING/CLEANSING PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2001-10-25 WO disclosed
US-6262008-B1 WITH CRYSTALLINE SYNTHETIC SILICATE-BASED DETERGENTS AND IS COATED WITH AN ALKALI METAL SULFATE AND A COPOLYMER OR TERPOLYMER OF VINYL PYRROLIDONE. KEMIRA CHEMICALS OY (FI) 2001-07-17 US disclosed
EP-0032905-A4 CONTACT LENSES WITH POLYMER BOUND ASEPTICIZING AGENTS. FOLEY WILLIAM M JUN 1981-08-27 EP disclosed
EP-0032905-A1 CONTACT LENSES WITH POLYMER BOUND ASEPTICIZING AGENTS FOLEY, Jr., William M. (US) 1981-08-05 EP disclosed
WO-1980002840-A1 CONTACT LENSES WITH POLYMER BOUND ASEPTICIZING AGENTS FOLEY W 1980-12-24 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-20120014887-A1 NEW COMPOUNDS, IN PARTICULAR PEPTIDES, COMPOSITIONS COMPRISING THEM AND COSMETIC AND DERMO-PHARMACEUTICAL USES CUTA, PLOD3, MC1R ALDH1A1 2211/4885TSHR 442/4885THRB 343/4885

“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.