SCHEMBL3134063

SCHEMBL3134063

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

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 8/20 0.78
GABRA1 P14867 1/20 0.62
GABRB1 P18505 1/20 0.62
GABRG2 P18507 1/20 0.62
GABRB3 P28472 1/20 0.62
GABRA5 P31644 1/20 0.62
GABRA3 P34903 1/20 0.62
GABRA2 P47869 1/20 0.62
GABRA4 P48169 1/20 0.62
USP2 O75604 2/20 0.49
RORA P35398 1/20 0.49
NPC1L1 Q9UHC9 1/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
CDC25B P30305 1/20 0.48
SRD5A1 P18405 7/20 0.47
SRD5A2 P31213 3/20 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
SCHEMBL13630375 1.00 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL3134072 1.00 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13521601 1.00 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL3138543 0.80 NPC1L1 (0.61) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL3138537 0.80 NPC1L1 (0.61) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL30650227 0.80 NPC1L1 (0.61) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13521611 0.80 NPC1L1 (0.61) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13629834 0.79 CDC25A (0.57) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13521632 0.79 CDC25A (0.57) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL24425755 0.77 GABRA1 (1.00) CDC25AGABRA1GABRB1GABRG2GABRB3

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 11 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
US-20070059242-A1 METHODS TO IDENTIFY THERAPEUTIC AGENTS SCRIPPS RESEARCH INSTITUTE, THE 2007-03-15 US 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 CDC25A 3977/4885GABRA1 2179/4885GABRB1 2882/4885
US-20050085556-A1 Detection of cholesterol ozonation products APOB, CETP, PCSK9 CDC25A 4303/4885GABRA1 4736/4885GABRB1 4851/4885
US-20050085557-A1 Oxidation of cholesterol in atherosclerosis plaque; cytotoxic APOB, LDLR, CETP CDC25A 4259/4885GABRA1 3677/4885GABRB1 3828/4885
US-20060217359-A1 Therapeutic procedures APOB, LIPA, CETP CDC25A 4132/4885GABRA1 3922/4885GABRB1 3923/4885
US-20090275064-A1 Methods to identify therapeutic agents MSR1, SCARB1, LDLR CDC25A 3921/4885GABRA1 2267/4885GABRB1 2878/4885
US-20060210554-A1 Detection of cholesterol ozonation products APOB, CETP, PCSK9 CDC25A 4303/4885GABRA1 4736/4885GABRB1 4851/4885

“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.