SCHEMBL5288745

SCHEMBL5288745

C=C(CC(=O)NCCCC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.47
EPHX1 P07099 4/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NAAA Q02083 1/20 0.44
HPGD P15428 2/20 0.43
CYP2C9 P11712 1/20 0.43
ACHE P22303 1/20 0.42
MMP2 P08253 1/20 0.42
FAAH O00519 2/20 0.42
CNR1 P21554 1/20 0.41

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
SCHEMBL11234062 0.92 CASP2 (0.58) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL5282303 0.88 MCL1 (0.45) CASP2EPHX1ALOX15MEN1KMT2A
SCHEMBL242295 0.85 CASP2 (0.53) CASP2EPHX1ALOX15MEN1KMT2A
SCHEMBL13431642 0.84 CASP2 (0.47) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL10136017 0.84 CASP2 (0.47) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL1091793 0.83 CASP2 (0.52) CASP2MEN1KMT2ANAAAHPGD
SCHEMBL2605603 0.83 ALOX15 (0.44) ALOX15MEN1KMT2A
SCHEMBL10631439 0.80 CASP2 (0.60) CASP2EPHX1MEN1KMT2ANAAA
SCHEMBL16802900 0.80 ALOX15 (0.36) CASP2ALOX15MEN1KMT2AHPGD
SCHEMBL16802901 0.79 MEN1 (0.36) CASP2ALOX15MEN1KMT2ANAAA

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-1895979-B1 COSMETICS COMPRISING A MODIFIED ORGANOPOLYSILOXANE DOW CORNING TORAY CO LTD (JP) 2014-03-12 EP disclosed
US-8147854-B2 Cosmetics comprising a modified organopolysiloxane DOW CORNING TORAY COMPANY, LTD. (JP) 2012-04-03 US disclosed
EP-1907068-B1 GELLING AGENT COMPRISING A MODIFIED ORGANOPOLYSILOXANE DOW CORNING TORAY CO LTD (JP) 2011-09-07 EP disclosed
US-8013094-B2 Gelling agents and gelatinous compositions DOW CORNING TORAY COMPANY, LTD. (JP) 2011-09-06 US disclosed
US-20100029862-A1 Gelling Agents And Gelatinous Compositions DOW CORNING TORAY COMPANY, LTD. (JP) 2010-02-04 US disclosed
US-20100028391-A1 Cosmetics Comprising A Modified Organopolysiloxane DOW CORNING TORAY COMPANY, LTD. (JP) 2010-02-04 US disclosed
EP-1281516-B1 Planographic printing plate precursor FUJIFILM CORP (JP) 2007-12-19 EP disclosed
US-6951171-B2 Using graft polymer on etched or anodized aluminum substrate FUJI PHOTO FILM CO., LTD. (JP) 2005-10-04 US disclosed
US-20030129520-A1 Using graft polymer on etched or anodized aluminum substrate FUJIFILM CORPORATION (JP) 2003-07-10 US disclosed
EP-1281516-A2 Planographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2003-02-05 EP disclosed
US-4198517-A Histidine derivatives E. R. SQUIBB & SONS, INC. (US) 1980-04-15 US disclosed
US-4154736-A Indolylalkylene amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4128721-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-12-05 US disclosed
US-4127729-A Amino acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4091024-A Pyrrolidine and piperidine-2-carboxylic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-05-23 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 (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-20100028391-A1 Cosmetics Comprising A Modified Organopolysiloxane H1-0, H1-2, CHRM1 CASP2 4144/4885EPHX1 1332/4885ALOX15 2796/4885

“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.