SCHEMBL14450970

SCHEMBL14450970

CCCCCCC#CCCCC(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.56
HMGCR P04035 2/20 0.56
RECQL P46063 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
DGKA P23743 1/20 0.55
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PAM P19021 2/20 0.50
CYP1A2 P05177 1/20 0.50
EPHX2 P34913 2/20 0.47

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
SCHEMBL31264376 0.93 PTPN7 (0.64) PTPN7HMGCRRECQLTDP1DGKA
SCHEMBL851539 0.92 CYP1A2 (0.53) PTPN7HMGCRRECQLTDP1DGKA
SCHEMBL15469192 0.91 RECQL (0.60) PTPN7HMGCRRECQLTDP1DGKA
SCHEMBL15472097 0.91 RECQL (0.60) PTPN7HMGCRRECQLTDP1DGKA
SCHEMBL15469155 0.89 PTPN7 (0.53) PTPN7HMGCRRECQLTDP1DGKA
SCHEMBL7879224 0.85 CYP1A2 (0.53) PTPN7RECQLTDP1DGKAMAPT
SCHEMBL454 0.84 DGKA (0.75) TDP1DGKAMAPTALDH1A1KDM4E
Hexane SCHEMBL2349171 0.84 DGKA (0.75) TDP1DGKAMAPTALDH1A1KDM4E
SCHEMBL2309907 0.84 DGKA (0.68) TDP1DGKAMAPTALDH1A1KDM4E
SCHEMBL8375548 0.84 DGKA (0.75) TDP1DGKAMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250510-B2 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations TOTAL SYNTHESIS, LTD. (CA) 2007-07-31 US disclosed
US-20070073055-A1 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations TOTAL SYNTHESIS, LTD. (CA) 2007-03-29 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-20070073055-A1 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations NDC1, NBAS, NUDC PTPN7 4339/4885HMGCR 2189/4885RECQL 3813/4885

“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.