SCHEMBL1464470

SCHEMBL1464470

CC(C)=CCC1(C(=O)OCc2ccccc2)CC(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL12745797 0.87 DDB1 (0.45) ALDH1A1DDB1CRBNHCAR2
SCHEMBL12745798 0.86 DDB1 (0.44) ALDH1A1DDB1CRBNHCAR2
SCHEMBL12746026 0.82 DDB1 (0.39) ALDH1A1DDB1CRBNHCAR2
SCHEMBL20156647 0.80 DDB1 (0.46) ALDH1A1DDB1CRBN
SCHEMBL20150646 0.80 DDB1 (0.39) ALDH1A1DDB1CRBN
SCHEMBL20156643 0.79 DDB1 (0.37) ALDH1A1DDB1CRBN
SCHEMBL12745986 0.78 DDB1 (0.41) ALDH1A1DDB1CRBN
SCHEMBL18235750 0.74 ALDH1A1 (0.40) ALDH1A1DDB1CRBN
SCHEMBL4608649 0.73 DDB1 (0.50) DDB1CRBN
SCHEMBL19929367 0.73 ALDH1A1 (0.54) ALDH1A1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006231-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-04-14 US disclosed
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2014-06-19 US disclosed
US-8466142-B2 Cephalotaxus esters, methods of synthesis, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-18 US disclosed
US-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-03-24 US disclosed
EP-2260041-A2 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF Sloan Kettering Institute For Cancer Research (US) 2010-12-15 EP disclosed
WO-2009148654-A2 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2009-12-10 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 (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-20110071097-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP ALDH1A1 1109/4885DDB1 2403/4885CRBN 1049/4885
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP ALDH1A1 1109/4885DDB1 2403/4885CRBN 1049/4885

“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.