SCHEMBL6283834

SCHEMBL6283834

C=CCc1cc(CO)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
EGFR P00533 1/20 0.41
ACMSD Q8TDX5 1/20 0.40
XDH P47989 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
MAPT P10636 3/20 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
SCHEMBL7061099 0.89 XDH (0.48) XDHALDH1A1KDM4EGABRA1GABRB2
SCHEMBL18148925 0.85 ALDH1A1 (0.39) XDHALDH1A1KDM4EPTGDRPTGDR2
SCHEMBL8479639 0.83 CA12 (0.47) CA12CA1CA2CA3CA4
SCHEMBL278481 0.80 KDM4E (0.46) CA12CA1CA2CA4CA6
SCHEMBL8479634 0.80 CA12 (0.45) CA12CA1CA2CA3CA4
SCHEMBL1953516 0.80 CA12 (0.45) CA12CA1CA2CA3CA4
SCHEMBL2053985 0.79 GABRA1 (0.41) ALDH1A1KDM4EPTGDRPTGDR2GABRA1
SCHEMBL1908071 0.79 ALDH1A1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL2852455 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EPTGDRPTGDR2GABRA1
SCHEMBL6535892 0.77 GABRA1 (0.39) ALDH1A1KDM4EPTGDRPTGDR2GABRA1

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
EP-0813516-B1 PROCESS FOR THE PREPARATION OF STILBENEDICARBOXYLATE ESTERS EASTMAN CHEM CO (US) 1999-12-01 EP claimed
US-6906046-B2 Pharmaceutical uses and synthesis of benzobicyclooctanes CELLTECH R & D INC. (US) 2005-06-14 US disclosed
US-20030069305-A1 Pharmaceutical uses and synthesis of benzobicyclooctanes CELLTECH R & D, INC. 2003-04-10 US disclosed
WO-2002051851-A2 PHARMACEUTICAL USES AND SYNTHESIS OF BENZOBICYCLOOCTANES CELLTECH R & D, INC. (US) 2002-07-04 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-20030069305-A1 Pharmaceutical uses and synthesis of benzobicyclooctanes CXCL8, CASP8, IL18 CA12 4074/4885CA1 3943/4885CA2 3220/4885

“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.