SCHEMBL1464322

SCHEMBL1464322

CCCCCC=CN1CC1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.43
TRPV1 Q8NER1 2/20 0.43
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MGLL Q99685 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
SCHEMBL9326645 0.89 FAAH (0.43) FAAHTRPV1ALDH1A1TSHR
SCHEMBL9326649 0.89 FAAH (0.43) FAAHTRPV1ALDH1A1TSHR
SCHEMBL11738858 0.88 FAAH (0.39) FAAHTRPV1
SCHEMBL11738866 0.88 FAAH (0.39) FAAHTRPV1
SCHEMBL9325631 0.87 FAAH (0.47) FAAHTRPV1TSHR
SCHEMBL8023741 0.87 FAAH (0.47) FAAHTRPV1TSHR
SCHEMBL9328599 0.87 FAAH (0.47) FAAHTRPV1TSHR
SCHEMBL9225054 0.87 FAAH (0.47) FAAHTRPV1TSHR
SCHEMBL9325532 0.87 FAAH (0.47) FAAHTRPV1TSHR
SCHEMBL9225064 0.87 FAAH (0.47) FAAHTRPV1TSHR

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 FAAH 453/4885TRPV1 3016/4885ALDH1A1 1109/4885
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP FAAH 453/4885TRPV1 3016/4885ALDH1A1 1109/4885

“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.