SCHEMBL17213596

SCHEMBL17213596

C=COc1ccc2[nH]cc(CCNC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.56
MTNR1B P49286 7/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
CYP1A1 P04798 1/20 0.55
MPO P05164 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
NQO2 P16083 1/20 0.55
HTR2B P41595 1/20 0.55
RAB9A P51151 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
CYP1B1 Q16678 1/20 0.55
NOTUM Q6P988 1/20 0.55

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
SCHEMBL6927448 0.87 MTNR1A (0.74) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
SCHEMBL14961084 0.85 TRPM8 (0.63) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
SCHEMBL25734745 0.84 TRPV1 (0.66) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
SCHEMBL30418479 0.84 TRPV1 (0.66) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
SCHEMBL8869773 0.83 LTA4H (0.59) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
SCHEMBL7214730 0.83 LTA4H (0.59) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
SCHEMBL8868871 0.83 MTNR1A (0.65) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
SCHEMBL26989647 0.82 MTNR1A (0.55) MTNR1AMTNR1BKMT2AALDH1A1KDM4E
SCHEMBL31077788 0.82 TRPV1 (0.70) KMT2AALDH1A1KDM4EMEN1CYP1A2
SCHEMBL8613795 0.82 TRPV1 (0.55) MTNR1AMTNR1BKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150306077-A1 Novel Compositions and Methods for Treating Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-10-29 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 (1 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-20150306077-A1 Novel Compositions and Methods for Treating Cancer HDGF, HCCS, CCNC MTNR1A 570/4885MTNR1B 782/4885KMT2A 2064/4885

“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.