SCHEMBL966843

SCHEMBL966843

CCOc1ccc2ccn(-c3c(/C=C(\CC)C(=O)O)c(C)nn3C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ACSS2 Q9NR19 1/20 0.36
MCL1 Q07820 7/20 0.35
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ABL1 P00519 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACACB O00763 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL966845 1.00 MAPT (0.38) MAPTACSS2MCL1PPARGLMNA
SCHEMBL961609 0.92 MCL1 (0.37) MAPTACSS2MCL1LMNAKDM4E
SCHEMBL961611 0.92 MCL1 (0.37) MAPTACSS2MCL1LMNAKDM4E
SCHEMBL963542 0.91 MTNR1A (0.41) MCL1POLBALDH1A1MTNR1AMTNR1B
SCHEMBL963543 0.91 MTNR1A (0.41) MCL1POLBALDH1A1MTNR1AMTNR1B
SCHEMBL963488 0.91 MET (0.38) MCL1
SCHEMBL963489 0.91 MET (0.38) MCL1
SCHEMBL966158 0.90 SRD5A2 (0.41) ACSS2MCL1PPARGLTB4RLTB4R2
SCHEMBL966157 0.90 SRD5A2 (0.41) ACSS2MCL1PPARGLTB4RLTB4R2
SCHEMBL962382 0.90 PIM3 (0.41) MCL1ABL1ACACBMTNR1AMTNR1B

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MAPT 4720/4885ACSS2 1586/4885MCL1 3693/4885

“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.