SCHEMBL3138537

SCHEMBL3138537

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC=O)[C@@H]([C@@]3(C)CC[C@H](O)CC3=O)CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 5/20 0.61
USP2 O75604 3/20 0.61
RORA P35398 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ALOX15 P16050 1/20 0.61
CDC25A P30304 5/20 0.60
LMNA P02545 2/20 0.56
RORC P51449 3/20 0.55
GPR183 P32249 1/20 0.55
ABCB1 P08183 1/20 0.55
OSBP P22059 1/20 0.55
OSBP2 Q969R2 1/20 0.55
CYP46A1 Q9Y6A2 1/20 0.55
CDC25B P30305 2/20 0.51
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47

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
SCHEMBL30650227 1.00 NPC1L1 (0.61) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13521611 1.00 NPC1L1 (0.61) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL3138543 1.00 NPC1L1 (0.61) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13521658 0.89 CDC25A (0.48) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13521609 0.89 CDC25A (0.76) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13521653 0.88 NR1H4 (0.52) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13521621 0.88 EPHA2 (0.58) USP2MEN1KMT2ACDC25ALMNA
SCHEMBL14611855 0.86 NR1H4 (0.52) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL14612021 0.85 CDC25A (0.43) NPC1L1USP2RORAMEN1KMT2A
SCHEMBL13630375 0.80 CDC25A (0.78) NPC1L1USP2RORAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100003711-A1 Methods to identify therapeutic agents THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-07 US disclosed
US-20090275064-A1 Methods to identify therapeutic agents THE SCRIPPS RESEARCH INSTITUTE (US) 2009-11-05 US disclosed
EP-1929313-A2 METHODS TO IDENTIFY THERAPEUTIC AGENTS The Scripps Research Institute (US) 2008-06-11 EP disclosed
US-20070059242-A1 METHODS TO IDENTIFY THERAPEUTIC AGENTS SCRIPPS RESEARCH INSTITUTE, THE 2007-03-15 US disclosed
WO-2007022089-A2 METHODS TO IDENTIFY THERAPEUTIC AGENTS USEFUL FOR TREATING AND PREVENTING ATHEROSCLEROSIS BY COUNTERACTING THE EFFECT OF CHOLESTEROL OZONATION PRODUCTS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-02-22 WO disclosed
US-20060217359-A1 Therapeutic procedures NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-09-28 US disclosed
US-20060210554-A1 Detection of cholesterol ozonation products NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-09-21 US disclosed
EP-1670812-A2 OZONATION PRODUCTS OF CHOLESTEROL FOR THE TREATMENT AND PREVENTION OF ATHEROSCLEROSIS AND/OR CARDIOVASCULAR DISEASES The Scripps Research Institute (US) 2006-06-21 EP disclosed
EP-1668026-A1 DETECTION OF CHOLESTEROL OZONATION PRODUCTS The Scripps Research Institute (US) 2006-06-14 EP disclosed
US-20050085557-A1 Oxidation of cholesterol in atherosclerosis plaque; cytotoxic SCRIPPS RESEARCH INSTITUTE, THE 2005-04-21 US disclosed
US-20050085556-A1 Detection of cholesterol ozonation products SCRIPPS RESEARCH INSTITUTE, THE 2005-04-21 US disclosed
WO-2005023830-A2 OZONATION PRODUCTS OF CHOLESTEROL FOR THE TREATMENT AND PREVENTION OF ATHEROSCLEROSIS AND/OR CARDIOVASCULAR DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2005-03-17 WO disclosed
WO-2005023831-A1 DETECTION OF CHOLESTEROL OZONATION PRODUCTS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-03-17 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 (6 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-20070059242-A1 METHODS TO IDENTIFY THERAPEUTIC AGENTS MSR1, SCARB1, LDLR NPC1L1 161/4885USP2 3904/4885RORA 97/4885
US-20050085556-A1 Detection of cholesterol ozonation products APOB, CETP, PCSK9 NPC1L1 24/4885USP2 1571/4885RORA 653/4885
US-20050085557-A1 Oxidation of cholesterol in atherosclerosis plaque; cytotoxic APOB, LDLR, CETP NPC1L1 14/4885USP2 2775/4885RORA 690/4885
US-20060217359-A1 Therapeutic procedures APOB, LIPA, CETP NPC1L1 22/4885USP2 2846/4885RORA 1029/4885
US-20090275064-A1 Methods to identify therapeutic agents MSR1, SCARB1, LDLR NPC1L1 161/4885USP2 3911/4885RORA 102/4885
US-20060210554-A1 Detection of cholesterol ozonation products APOB, CETP, PCSK9 NPC1L1 24/4885USP2 1571/4885RORA 653/4885

“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.