SCHEMBL12225437

SCHEMBL12225437

CC(C)(Cc1ccc(C=O)cc1)[Si](C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH5A1 P51649 1/20 0.42
▸ ABAT P80404 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ ESR1 P03372 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP2A6 P11509 3/20 0.38
▸ NR3C1 P04150 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH3A1 P30838 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ ESR2 Q92731 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ TYR P14679 1/20 0.34
▸ CYP2A13 Q16696 1/20 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
SCHEMBL14652352 0.82 ALDH1A1 (0.39) ESR1ALDH1A1MAPTESR2BLM
SCHEMBL12899444 0.79 NPC1 (0.42) ESR1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL17694420 0.79 HCAR2 (0.50) ESR1KDM4EALDH1A1LMNAHPGD
SCHEMBL12309927 0.79 ESR1 (0.61) ABATESR1LMNAHPGDESR2
SCHEMBL15443987 0.77 ESR1 (0.43) ESR1CYP2A6ALDH1A1MAPTHPGD
SCHEMBL13809203 0.77 ESR1 (0.43) EPHX2ESR1ALDH1A1ESR2BLM
SCHEMBL15457714 0.77 ESR1 (0.43) EPHX2ESR1ESR2BLM
SCHEMBL13078449 0.77 ESR1 (0.43) ESR1KDM4ECYP2A6ALDH1A1MAPT
SCHEMBL2646831 0.77 ESR1 (0.52) ALDH5A1ABATEPHX2NR1H4ESR1
SCHEMBL15443986 0.76 ESR1 (0.42) ESR1ESR2BLM

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029324-A1 AZASULFURYLPEPTIDE-BASED CD36 MODULATORS AND USES THEREOF RSEM, LIMITED PARTNERSHIP (CA) 2016-03-03 — — WO disclosed
US-9075058-B2 Coelenterazine analogues and coelenteramide analogues JNC CORPORATION (JP) 2015-07-07 — — US disclosed
US-9056840-B2 Coelenterazine analogues and coelenteramide analogues JNC CORPORATION (JP) 2015-06-16 — — US disclosed
US-20150153344-A1 COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES JNC CORP (JP) 2015-06-04 — — US disclosed
US-8883432-B2 Coelenterazine analogues and coelenteramide analogues JNC CORPORATION (JP) 2014-11-11 — — US disclosed
US-20140316137-A1 COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES JNC CORP (JP) 2014-10-23 — — US disclosed
EP-2462138-B1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING VERSITECH LTD (CN) 2014-09-24 — — EP disclosed
US-20140120538-A1 COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2014-05-01 — — US disclosed
US-8642281-B2 Coelenterazine analogues and coelenteramide analogues JNC CORPORATION (JP) 2014-02-04 — — US disclosed
US-20110244481-A1 COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES JNC CORPORATION (JP) 2011-10-06 — — US disclosed
WO-2011015037-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THERE OF CROSS REFERENCE TO RELATED APPLICATIONS THE UNIVERSITY OF HONGKONG (CN) 2011-02-10 — — WO disclosed
WO-2009105214-A2 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2009-08-27 — — 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 (4 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-20140120538-A1 COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES CCKAR, SI, GLP1R ALDH5A1 2967/4885ABAT 2689/4885EPHX2 2136/4885
US-20140316137-A1 COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES CCKAR, SI, GLP1R ALDH5A1 2745/4885ABAT 2691/4885EPHX2 2387/4885
US-20110244481-A1 COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES CCKAR, SI, GLP1R ALDH5A1 2967/4885ABAT 2689/4885EPHX2 2136/4885
US-20150153344-A1 COELENTERAZINE ANALOGUES AND COELENTERAMIDE ANALOGUES CCKAR, SI, GLP1R ALDH5A1 2967/4885ABAT 2689/4885EPHX2 2136/4885

“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.

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