SCHEMBL6076958

SCHEMBL6076958

O=C(c1cccc2c1OCO2)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 1/20 0.44
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GSK3B P49841 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MT-CO2 P00403 1/20 0.39
MGAM O43451 1/20 0.39
AMY1A P0DUB6 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
EED O75530 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAOB P27338 2/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6077935 0.95 KDM4E (0.43) ACVRL1KDM4CKDM4EGSK3BMT-CO2
SCHEMBL6206600 0.80 ABCG2 (0.44) KDM4CKDM4EGSK3BMT-CO2MGAM
SCHEMBL9118552 0.80 ACVRL1 (0.43) ACVRL1KDM4CKDM4ESMN1; SMN2NPSR1
SCHEMBL340702 0.79 KDM4C (0.52) KDM4CKDM4EGSK3BLMNAPOLB
SCHEMBL29442138 0.79 KDM4C (0.52) KDM4CKDM4EGSK3BLMNAPOLB
SCHEMBL23079145 0.77 GSK3B (0.42) KDM4CKDM4EGSK3BMT-CO2MGAM
Hydrochloric Acid SCHEMBL9236405 0.77 KDM4C (0.51) KDM4CKDM4EGSK3BLMNAPOLB
SCHEMBL340356 0.77 KDM4E (0.44) KDM4CKDM4EGSK3BSMN1; SMN2NPSR1
SCHEMBL1720148 0.77 PARP1 (0.54) KDM4ELMNAPOLBALDH1A1MAPK1
SCHEMBL341608 0.77 GSK3B (0.42) KDM4CKDM4EGSK3BMT-CO2MGAM

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 5 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
US-4137324-A Optionally substituted phenyl-α-cyclopropyl acetic acid esters and use as insecticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1979-01-30 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-20040209875-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES ACVRL1 3364/4885KDM4C 4234/4885KDM4E 4112/4885

“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.