SCHEMBL6077935

SCHEMBL6077935

O=C(c1cccc2c1OCO2)C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ACVRL1 P37023 1/20 0.41
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
DRD3 P35462 2/20 0.40
EED O75530 1/20 0.40
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
SYK P43405 1/20 0.38
NPC1 O15118 1/20 0.38
GSK3B P49841 1/20 0.38
GAA P10253 2/20 0.38
MT-CO2 P00403 1/20 0.38
MGAM O43451 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
SCHEMBL6076958 0.95 ACVRL1 (0.44) KDM4EALDH1A1LMNAPOLBRECQL
SCHEMBL6206600 0.79 ABCG2 (0.44) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL29442138 0.78 KDM4C (0.52) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL340702 0.78 KDM4C (0.52) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL23079145 0.76 GSK3B (0.42) KDM4EALDH1A1LMNAPOLBHPGD
Hydrochloric Acid SCHEMBL9236405 0.76 KDM4C (0.51) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL340356 0.76 KDM4E (0.44) KDM4EALDH1A1KDM4CNPC1GSK3B
SCHEMBL1720148 0.76 PARP1 (0.54) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL341608 0.76 GSK3B (0.42) KDM4EALDH1A1LMNAPOLBHPGD
SCHEMBL29625406 0.76 PARP1 (0.54) KDM4EALDH1A1LMNAPOLBHPGD

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-7112584-B2 Nonsteroidal antiinflammatory agents SCHERING AG (DE) 2006-09-26 US disclosed
EP-1572671-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2005-09-14 EP disclosed
US-20040209875-A1 Nonsteroidal antiinflammatory agents SCHERIN AKTIENGESELLSCHAFT (DE) 2004-10-21 US disclosed
WO-2004058733-A1 NON-STEROIDAL ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 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 (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-20040209875-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES KDM4E 4112/4885ALDH1A1 96/4885LMNA 2957/4885

“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.