SCHEMBL6797446

SCHEMBL6797446

CCc1cc(C(O)c2ccc(C(=O)OC)cc2)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KDM4E B2RXH2 5/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TNKS O95271 1/20 0.44
PDE5A O76074 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL6216954 0.88 ADORA2A (0.46) POLBKDM4EMAPTGAAADORA2A
SCHEMBL3969700 0.85 KDM4E (0.59) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL6215224 0.83 POLB (0.41) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL6481272 0.82 KDM4E (0.47) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL7061841 0.81 ADORA2A (0.70) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL6478698 0.81 KDM4E (0.44) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL6220789 0.78 ADAM17 (0.53) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL6636132 0.76 KDM4E (0.44) KDM4EPDE7APDE7BNPC1RAB9A
SCHEMBL6489386 0.73 MEN1 (0.49) POLBKDM4EMAPTALDH1A1HPGD
SCHEMBL866718 0.72 TSHR (0.64) POLBMAPTALDH1A1HPGDGAA

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-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 POLB 885/4885KDM4E 4292/4885MAPT 4213/4885

“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.