SCHEMBL6958267

SCHEMBL6958267

COc1ccc(C(=O)O)c2oc(C3(C)OCCO3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 3/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 1/20 0.37
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
GPR35 Q9HC97 2/20 0.36
PDE10A Q9Y233 1/20 0.34
HPGD P15428 2/20 0.34

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
SCHEMBL6953578 0.80 NQO2 (0.39) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL7676090 0.79 PDE4D (0.55) PDE4B
SCHEMBL6609012 0.73 TDP1 (0.41) ALDH1A1KDM4EHSD17B10TDP1MAPT
SCHEMBL6952235 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10LMNATDP1
SCHEMBL6611735 0.72 PIK3CD (0.42) ALDH1A1KDM4EHSD17B10MAPTMAPK1
SCHEMBL1553085 0.72 TDP1 (0.40) ALDH1A1KDM4EHSD17B10LMNATDP1
SCHEMBL7551167 0.71 TDP1 (0.39) ALDH1A1KDM4EHSD17B10TDP1MAPT
SCHEMBL7551170 0.70 TDP1 (0.38) ALDH1A1KDM4EHSD17B10TDP1MAPT
SCHEMBL6953728 0.66 TDP1 (0.45) ALDH1A1KDM4EHSD17B10LMNATDP1
SCHEMBL11126321 0.62 LMNA (0.48) ALDH1A1KDM4EHSD17B10LMNAMAPT

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
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US disclosed
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 US disclosed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP disclosed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 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-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A ALDH1A1 202/4885KDM4E 2000/4885HSD17B10 1367/4885

“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.