SCHEMBL2506490

SCHEMBL2506490

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 14/20 0.79
▸ NR1H4 Q96RI1 5/20 0.79
▸ MEN1 O00255 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ ABCB11 O95342 2/20 0.76
▸ SLC10A2 Q12908 2/20 0.76
▸ LMNA P02545 1/20 0.76
▸ CYP2C19 P33261 1/20 0.76
▸ CHRM2 P08172 1/20 0.76
▸ ADRA2A P08913 1/20 0.76
▸ ADRA1A P35348 1/20 0.76
▸ TDP1 Q9NUW8 1/20 0.76
▸ ENPP2 Q13822 1/20 0.76
▸ SLC10A1 Q14973 1/20 0.76
▸ CISD1 Q9NZ45 1/20 0.76
▸ CYP3A4 P08684 1/20 0.76

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
SCHEMBL21408904 1.00 GPBAR1 (0.79) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL15292874 1.00 GPBAR1 (0.79) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL15292879 1.00 GPBAR1 (0.79) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL25926256 0.89 GPBAR1 (0.76) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL25926254 0.89 GPBAR1 (0.76) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL22722196 0.89 GPBAR1 (0.94) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL22572510 0.89 GPBAR1 (0.94) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL22572519 0.89 GPBAR1 (0.94) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL22572524 0.89 GPBAR1 (0.94) GPBAR1NR1H4MEN1KMT2AABCB11
SCHEMBL24712916 0.89 GPBAR1 (1.00) GPBAR1NR1H4MEN1KMT2AABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218639-A1 TUNEABLE DELIVERY OF NANOPARTICLE BOUND ACTIVE PLASMIN FOR THE TREATMENT OF THROMBOSIS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2022-07-14 — — US claimed
US-20210148933-A1 METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS Pepsis Limited (GB) 2021-05-20 — — US claimed
EP-3773919-A1 METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS Pepsis Limited (GB) 2021-02-17 — — EP claimed
WO-2019186141-A1 METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS Pepsis Limited (GB) 2019-10-03 — — WO claimed
CN-119000956-A Kit for simultaneously detecting 15 bile acid spectrums and 3 bile acid precursors in serum and detection method 上海捷易生物科技有限公司 2024-11-22 — — CN disclosed
US-12084704-B2 Methods for producing isobutene from 3-methylcrotonic acid GLOBAL BIOENERGIES (FR) 2024-09-10 — — US disclosed
EP-3622080-B1 IMPROVED METHODS FOR PRODUCING ISOBUTENE FROM 3-METHYLCROTONIC ACID GLOBAL BIOENERGIES (FR) 2024-03-27 — — EP disclosed
US-20210148933-A1 METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS Pepsis Limited (GB) 2021-05-20 — — US disclosed
EP-3773919-A1 METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS Pepsis Limited (GB) 2021-02-17 — — EP disclosed
WO-2019186141-A1 METHODS AND ASSAYS FOR USE IN DIAGNOSIS OF LAMINITIS Pepsis Limited (GB) 2019-10-03 — — WO disclosed
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 — — US disclosed
US-20120191434-A1 ARTICLES OF MANUFACTURE AND METHODS FOR MODELING CHINESE HAMSTER OVARY (CHO) CELL METABOLISM GT LIFE SCIENCES, INC. (US) 2012-07-26 — — US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 — — US disclosed
WO-2009052186-A1 METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS GEORGIA TECH RESEARCH CORPORATION (US) 2009-04-23 — — WO disclosed
EP-1497247-A2 MIMICS OF ACYL COENZYME-A, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2005-01-19 — — EP disclosed
EP-1495034-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics, Inc. (US) 2005-01-12 — — EP disclosed
WO-2003087108-A2 MIMICS OF ACYL COENZYME-A, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2003-10-23 — — WO disclosed
WO-2003087040-A2 MIMICS OF ACYL COENZYME-A COMPRISING PANTOLACTONE AND PANTOTHENIC ACID DERIVATIVES, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2003-10-23 — — 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 (1 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-20220218639-A1 TUNEABLE DELIVERY OF NANOPARTICLE BOUND ACTIVE PLASMIN FOR THE TREATMENT OF THROMBOSIS PLAT, PLG, PLAUR GPBAR1 3709/4885NR1H4 3171/4885MEN1 3800/4885

“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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