SCHEMBL10136017

SCHEMBL10136017

C=C(CC(=O)NCCCC)C(C)=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
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 2/20 0.44
NAAA Q02083 1/20 0.44
ACHE P22303 5/20 0.42
MMP2 P08253 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL5288745 0.84 CASP2 (0.47) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL13431642 0.84 CASP2 (0.47) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL10631439 0.80 CASP2 (0.60) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL10605642 0.79 CASP2 (0.54) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL14952562 0.78 CASP2 (0.59) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL11234059 0.77 CASP2 (0.58) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL17205672 0.77 CASP2 (0.53) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL11234062 0.77 CASP2 (0.58) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL14891069 0.77 CASP2 (0.52) CASP2EPHX1MEN1KMT2AFAAH
SCHEMBL16804265 0.77 TSHR (0.36) CASP2EPHX1MEN1KMT2AFAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8147854-B2 Cosmetics comprising a modified organopolysiloxane DOW CORNING TORAY COMPANY, LTD. (JP) 2012-04-03 US 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

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 1332/4885MEN1 569/4885

“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.