SCHEMBL676499

SCHEMBL676499

C=CCC/C=C(/C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
EP300 Q09472 1/20 0.31
ACLY P53396 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
SCHEMBL676500 1.00 ABCC4 (0.38) ABCC4MAPTALDH1A1LMNAEP300
SCHEMBL7680072 0.81
SCHEMBL7558899 0.78 EP300 (0.42) MAPTLMNAEP300ACLY
SCHEMBL7558903 0.78 EP300 (0.42) MAPTLMNAEP300ACLY
SCHEMBL3680666 0.77 EP300 (0.32) EP300ACLY
SCHEMBL5271639 0.73 EP300 (0.62) MAPTLMNAEP300
SCHEMBL7124103 0.73 EP300 (0.62) MAPTLMNAEP300
SCHEMBL8067161 0.73 F7 (0.50) MAPTLMNAEP300
SCHEMBL18803276 0.73 GRIK1 (0.36) EP300
SCHEMBL7174689 0.73

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-8324284-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-12-04 US disclosed
US-20110281916-A1 MIGRASTATIN ANALOGS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-11-17 US disclosed
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-27 US disclosed
US-7943800-B2 Migrastatin analogs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-05-17 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-20110281916-A1 MIGRASTATIN ANALOGS AND USES THEREOF KDR, HMGCR, LPAR3 ABCC4 1088/4885MAPT 3369/4885ALDH1A1 1123/4885
US-20110263653-A1 MIGRASTATIN ANALOG COMPOSITIONS AND USES THEREOF C3AR1, C1R, MRPS18A ABCC4 495/4885MAPT 3280/4885ALDH1A1 1845/4885

“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.