SCHEMBL1462623

SCHEMBL1462623

COC(=O)CC(CC=C(C)C)(OC(C)=O)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN1 P18031 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC15A1 P46059 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
ABCB1 P08183 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1462620 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL1463970 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL12745999 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL1463973 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL242004 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL1462621 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL12826552 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHCAR2LMNA
SCHEMBL4734508 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL31640054 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMAPK1L3MBTL1
SCHEMBL1463497 0.73 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPK1L3MBTL1

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-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

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 1109/4885MEN1 165/4885KMT2A 1633/4885
US-20140171416-A1 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF COASY, CXCR4, CETP ALDH1A1 1109/4885MEN1 165/4885KMT2A 1633/4885

“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.