SCHEMBL4893580

SCHEMBL4893580

C=C(CC(=O)OCc1ccccc1)C(=O)OCc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
ATM Q13315 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PLAU P00749 1/20 0.48
ELANE P08246 1/20 0.48
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ACHE P22303 1/20 0.46
MAPT P10636 2/20 0.45
KLK7 P49862 1/20 0.45
LTA4H P09960 1/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RX4 Q99571 1/20 0.44

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
SCHEMBL4896275 1.00 ALDH1A1 (0.50) ALDH1A1ATMNPC1RAB9APLAU
SCHEMBL6430060 0.94 ALDH1A1 (0.55) ALDH1A1ATMNPC1RAB9AMAPK1
SCHEMBL2575791 0.89 ALDH1A1 (0.55) ALDH1A1ATMNPC1RAB9AMAPK1
SCHEMBL1045139 0.89 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AMAPK1L3MBTL1
SCHEMBL6430061 0.86 ALDH1A1 (0.51) ALDH1A1ATMNPC1RAB9AFABP7
SCHEMBL2578163 0.86 ALDH1A1 (0.55) ALDH1A1ATMNPC1RAB9AFABP7
SCHEMBL698394 0.86 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AMAPK1L3MBTL1
SCHEMBL1521953 0.84 LTA4H (0.58) ALDH1A1ATMNPC1RAB9AFABP7
SCHEMBL6519457 0.83 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AMAPK1L3MBTL1
SCHEMBL24387802 0.83 ALDH1A1 (0.47) ALDH1A1ATMNPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103311-A1 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2008-05-01 US disclosed
US-7312333-B2 Retroviral protease inhibitors PHARMACIA CORPORATION (US) 2007-12-25 US disclosed
US-20060166895-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2006-07-27 US disclosed
US-7026485-B2 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-7026333-B1 Retroviral protease inhibitors G. D. SEARLE & CO. (US) 2006-04-11 US disclosed
US-20060040974-A1 Retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-02-23 US disclosed
EP-0813868-B1 Retroviral protease inhibitors MONSANTO CO (US) 2005-06-01 EP disclosed
US-20050004230-A1 Retroviral protease inhibitors MONSANTO COMPANY (NOW NAMED PHARMACIA CORPORATION, WHICH IS A WHOLLY OWNED SUBSIDIARY OF PFIZER, INC (US) 2005-01-06 US disclosed
EP-1447398-A1 Retroviral protease inhibitors MONSANTO COMPANY (US) 2004-08-18 EP disclosed
US-6762187-B2 HETEROCYCLIC NITROGEN COMPOUNDS USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF HUMAN IMMUNODEFICIENCY VIRUS(HIV) MONSANTO COMPANY 2004-07-13 US disclosed
EP-0558630-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP disclosed
EP-0558657-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
EP-0554400-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-08-11 EP disclosed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed
WO-1992008698-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 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-20080103311-A1 Retroviral protease inhibitors PREP, DNPEP, SERPINB1 ALDH1A1 2859/4885ATM 4588/4885NPC1 1120/4885
US-20060040974-A1 Retroviral protease inhibitors PREP, TMPRSS15, DNPEP ALDH1A1 2626/4885ATM 4458/4885NPC1 1505/4885
US-20050004230-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 ALDH1A1 2763/4885ATM 4585/4885NPC1 1296/4885
US-20060166895-A1 Retroviral protease inhibitors MME, PREP, TMPRSS15 ALDH1A1 2763/4885ATM 4585/4885NPC1 1296/4885

“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.