SCHEMBL5333216

SCHEMBL5333216

CCCCCCCC=C/C=C/C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
MAPT P10636 1/20 0.65
FASN P49327 1/20 0.59
KDM4E B2RXH2 3/20 0.58
FAAH O00519 3/20 0.58
SOAT1 P35610 2/20 0.58
MEN1 O00255 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
CNR1 P21554 2/20 0.55
CNR2 P34972 2/20 0.55
TSHR P16473 1/20 0.52

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
SCHEMBL31626922 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL2168292 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL943272 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL905183 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL1134778 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL5614117 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL943539 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL943538 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL4437384 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH
SCHEMBL943270 1.00 ALDH1A1 (0.65) ALDH1A1MAPTFASNKDM4EFAAH

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-20070060605-A1 Compositions and methods for inhibiting platelet activation and thrombosis FLAUMENHAFT ROBERT C 2007-03-15 US disclosed
US-7166612-B2 Methods for reducing platelet activation platelet aggregaton or thrombosis BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2007-01-23 US disclosed
US-20040147540-A1 Compositions and methods for inhibiting platelet activation and thrombosis BETH ISRAEL DEACONESS MEDICAL CENTER 2004-07-29 US disclosed
US-20030050236-A1 Compounds that enhance tumor death THE UNIVERSITY OF CHICAGO 2003-03-13 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 (2 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-20070060605-A1 Compositions and methods for inhibiting platelet activation and thrombosis PLA2G7, PLTP, PLAAT2 ALDH1A1 2786/4885MAPT 4507/4885FASN 566/4885
US-20040147540-A1 Compositions and methods for inhibiting platelet activation and thrombosis PLA2G7, PLTP, PLAAT2 ALDH1A1 2786/4885MAPT 4507/4885FASN 566/4885

“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.