SCHEMBL2033863

SCHEMBL2033863

COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.54
CA2 P00918 6/20 0.54
CA12 O43570 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
NOTUM Q6P988 1/20 0.53
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
XDH P47989 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
NFKB1 P19838 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FUT7 Q11130 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.48

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
SCHEMBL546298 0.96 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL15077172 0.91 NOTUM (0.68) CA1CA2CA12CA7CA9
SCHEMBL1204263 0.88 NOTUM (0.47) CA1CA2CA12CA7CA9
SCHEMBL1188779 0.88 CA1 (0.68) CA1CA2CA12CA7CA9
SCHEMBL14508886 0.88 CNR2 (0.49) CA1CA2CA12CA7CA9
SCHEMBL545464 0.88 NOTUM (0.47) CA1CA2CA12CA7CA9
SCHEMBL1530343 0.87 NOTUM (0.46) CA1CA2CA12CA7CA9
SCHEMBL1530374 0.87 NOTUM (0.46) CA1CA2CA12CA7CA9
SCHEMBL3737467 0.87 NOTUM (0.73) CA1CA2CA12CA7CA9
SCHEMBL545730 0.87 NOTUM (0.46) CA1CA2CA12CA7CA9

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP claimed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO claimed
CN-106459114-B Organic iridium complex for organic electroluminescent device 田中贵金属工业株式会社 2019-08-27 CN disclosed
EP-3187503-B1 ORGANOIRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENT TANAKA PRECIOUS METAL IND (JP) 2019-03-27 EP disclosed
US-9859511-B2 Organoiridium complex for organic electroluminescent elements TANAKA KIKINZOKU KOGYO K.K. (JP) 2018-01-02 US disclosed
US-9859511-B2 Organoiridium complex for organic electroluminescent elements TANAKA KIKINZOKU KOGYO K.K. (JP) 2018-01-02 US disclosed
US-9793499-B2 Organic iridium complex for organic electroluminescent element TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-10-17 US disclosed
US-9793499-B2 Organic iridium complex for organic electroluminescent element TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-10-17 US disclosed
US-9793499-B2 Organic iridium complex for organic electroluminescent element TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-10-17 US disclosed
US-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-08-17 US disclosed
EP-0675153-B1 Process for the preparation of star-shaped polymers SHELL INT RESEARCH (NL) 2001-06-13 EP disclosed
EP-1099717-A2 Star-shaped polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-05-16 EP disclosed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO disclosed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO disclosed
CN-1115321-A Star-shaped polymers SHELL INT RESEARCH (NL) 1996-01-24 CN disclosed
US-5458796-A Synthesis of polyisobutylene star-branched polymers via living carbocationic polymerization SHELL OIL COMPANY (US) 1995-10-17 US disclosed
EP-0675153-A1 Star-shaped polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-10-04 EP disclosed
US-5420343-A ANTIINFLAMMATORY AGENTS; CYCLOOXYGENASE INHIBITORS G. D. SEARLE & CO. (US) 1995-05-30 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-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS L1CAM, ETFA, TTI2 CA1 3624/4885CA2 3190/4885CA12 3703/4885

“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.