SCHEMBL799545

SCHEMBL799545

COc1ccc(C(C)(C)C)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 6/20 0.50
GAA P10253 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL23318790 0.84 GAA (0.42) CYP2C19ALDH1A1GAAMAPTLMNA
SCHEMBL10646361 0.83 CYP2C19 (0.44) CYP2C19ALDH1A1GAAMAPTLMNA
SCHEMBL179444 0.83 CYP2C19 (0.44) CYP2C19ALDH1A1GAAMAPTLMNA
SCHEMBL12732707 0.83 CA12 (0.47) CYP2C19ALDH1A1GAAMAPTLMNA
SCHEMBL1688243 0.82 MAPT (0.50) CYP2C19ALDH1A1MAPTKDM4ERAB9A
SCHEMBL14167831 0.82 CYP19A1 (0.49) CYP2C19ALDH1A1GAAMAPTLMNA
SCHEMBL13930887 0.81 CYP2C19 (0.43) CYP2C19ALDH1A1GAAMAPTLMNA
SCHEMBL29436012 0.80 CA2 (0.50) CYP2C19ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL179467 0.80 CA2 (0.50) CYP2C19ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL21892239 0.79 GAA (0.41) CYP2C19ALDH1A1GAAMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-01-25 US disclosed
US-11773122-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES. INC. (US) 2023-10-03 US disclosed
US-11773122-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES. INC. (US) 2023-10-03 US disclosed
US-20230250117-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-08-10 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed
US-7230132-B2 Aryl N-cyanoguanidines and methods related thereto MIGENIX CORP. (US) 2007-06-12 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 US disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 US disclosed
CN-1911915-A Lactam compound and medicinal use thereof AJINOMOTO KK (JP) 2007-02-14 CN disclosed
CN-1269818-C Lactam compounds and pharmaceutical use thereof AJINOMOTO KK (JP) 2006-08-16 CN disclosed
CN-1487940-A Lactam compounds and pharmaceutical use thereof ֮����ʽ���� 2004-04-07 CN 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 (12 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2C19 561/4885ALDH1A1 344/4885GAA 139/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CYP2C19 4866/4885ALDH1A1 4701/4885GAA 1534/4885
US-20070043051-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS CYP2C19 4826/4885ALDH1A1 4407/4885GAA 852/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 CYP2C19 3796/4885ALDH1A1 2911/4885GAA 4130/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 CYP2C19 2942/4885ALDH1A1 3639/4885GAA 862/4885
US-20230250117-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 CYP2C19 2942/4885ALDH1A1 3639/4885GAA 862/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CYP2C19 1191/4885ALDH1A1 1374/4885GAA 773/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CYP2C19 3141/4885ALDH1A1 1079/4885GAA 4203/4885
US-20240025932-A1 PHOSPHOLIPID COMPOUNDS AND USES THEREOF PHOSPHO1, SGMS2, SGMS1 CYP2C19 2942/4885ALDH1A1 3639/4885GAA 862/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 CYP2C19 2608/4885ALDH1A1 4225/4885GAA 3243/4885
US-11773122-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 CYP2C19 2942/4885ALDH1A1 3639/4885GAA 862/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B CYP2C19 490/4885ALDH1A1 1828/4885GAA 3617/4885

“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.