SCHEMBL368699

SCHEMBL368699

C=CCNC=C(C)C(=O)OCC=C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTP4A3 O75365 2/20 0.30
PTP4A1 Q93096 2/20 0.30
PTP4A2 Q12974 1/20 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
SCHEMBL9058790 0.86 ALDH1A1 (0.43) MAPTTSHRCYP3A4TDP1ALDH1A1
SCHEMBL5607925 0.83 ALDH1A1 (0.38) MAPTTSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL11279518 0.81 TSHR (0.37) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL21802487 0.80 HTT (0.34) MAPK1
SCHEMBL27410262 0.80 TSHR (0.39) TSHRCYP3A4TDP1ALDH1A1NPSR1
SCHEMBL9241885 0.77 TSHR (0.41) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL45287 0.77 TSHR (0.41) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL524629 0.77 TSHR (0.41) MAPTTSHRCACNA1BAPBA1CYP3A4
SCHEMBL561780 0.75 TSHR (0.34) MAPTTSHRTDP1ALDH1A1MAPK1
SCHEMBL175302 0.75 TSHR (0.40) MAPTTSHRCACNA1BAPBA1CYP3A4

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 15 patents. 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
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
WO-2001078671-A2 PHASE-SEPARATED RINSE-OFF HAIR COLORING/CLEANSING PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2001-10-25 WO 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 MAPT 4321/4885TSHR 442/4885CACNA1B 4261/4885

“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.