SCHEMBL2038877

SCHEMBL2038877

O=C(O)C1C[C@H](C(=O)O)C[C@H](C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
GABRR1 P24046 1/20 0.50
CYP2D6 P10635 3/20 0.46
CYP1A2 P05177 3/20 0.46
ALOX15 P16050 3/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
TSHR P16473 2/20 0.45
PMP22 Q01453 2/20 0.45
APLNR P35414 1/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL8204743 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL6542917 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL326061 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL5349667 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL19902117 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL23366184 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
SCHEMBL375124 1.00 CYP2C19 (0.50) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
Hydrochloric Acid SCHEMBL4380992 0.96 CYP2C19 (0.47) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
Hydrochloric Acid SCHEMBL2385417 0.96 CYP2C19 (0.47) CYP2C19GABRR1CYP2D6CYP1A2ALOX15
Bromide SCHEMBL29077840 0.96 CYP2C19 (0.47) CYP2C19GABRR1CYP2D6CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113277510-A Synthetic method for preparing porous carbon material by using small molecules 中国科学技术大学 2021-08-20 CN claimed
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
CN-118355020-A Therapeutic compounds for HIV virus infection 吉利德科学公司 2024-07-16 CN disclosed
CN-117677603-A Cyclohexane lipids for nucleic acid transfection and uses thereof 捷克有机化学和生物化学研究院 2024-03-08 CN disclosed
CN-113277510-A Synthetic method for preparing porous carbon material by using small molecules 中国科学技术大学 2021-08-20 CN disclosed
US-11007274-B2 Compounds for medicinal applications AusVir Therapeutics Pty Ltd (AU) 2021-05-18 US disclosed
US-20180264128-A1 COMPOUNDS FOR MEDICINAL APPLICATIONS Australian Biomedical Co. Pty Ltd. (AU) 2018-09-20 US disclosed
US-10030483-B2 Carbon dioxide and hydrocarbon assisted enhanced oil recovery GENERAL ELECTRIC COMPANY (US) 2018-07-24 US disclosed
US-9932238-B2 Graphene and graphene oxide nano-environments for chemical reactions and atomic reformations PEERLESS WORLDWIDE, LLC (US) 2018-04-03 US disclosed
US-20170114269-A1 CARBON DIOXIDE AND HYDROCARBON ASSISTED ENHANCED OIL RECOVERY BAKER HUGHES, A GE COMPANY, LLC 2017-04-27 US disclosed
EP-0705279-B1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORP (US) 2003-02-19 EP disclosed
US-20010036517-A1 Glass-forming liquid crystalline compositions and optical devices formed therefrom NATIONAL SCIENCE FOUNDATION 2001-11-01 US disclosed
US-6090912-A MULTIPLICITY OF SEPARATE SOLID SUPPORTS WITH SURFACE HAVING SUCEPTIBLE LINKER TO SINGLE SPECIES OF TEST COMPOUND AND WITH INTERIOR HAVING ATTACHED NON-CLEAVABLE CODING MOLECULE; FOR SCREENING LIGANDS OR ACCEPTORS SELECTIDE CORPORATION (US) 2000-07-18 US disclosed
EP-0705279-A4 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORP (US) 1999-03-24 EP disclosed
US-5840485-A SYNTHETIC TEST COMPOUNDS ATTACHED TO SEPARATE PHASE SYNTHESIS SUPPORTS THAT ALSO CONTAIN CODING MOLECULES THAT ENCODE THE STRUCTURE OF THE SYNTHETIC TEST COMPOUND SELECTIDE CORPORATION (US) 1998-11-24 US disclosed
EP-0705279-A1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORPORATION (US) 1996-04-10 EP disclosed
WO-1994028028-A1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORPORATION (US) 1994-12-08 WO disclosed
EP-0587610-A1 SPECIFICALLY BETA-BETA CROSS-LINKED HEMOGLOBINS AND METHOD OF PREPARATION THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1994-03-23 EP disclosed
US-5250665-A Artificial blood THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1993-10-05 US disclosed
WO-1992021702-A1 SPECIFICALLY BETA-BETA CROSS-LINKED HEMOGLOBINS AND METHOD OF PREPARATION THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1992-12-10 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 (3 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-11007274-B2 Compounds for medicinal applications HAVCR2, ENGASE, DNPEP CYP2C19 1514/4885GABRR1 2011/4885CYP2D6 533/4885
US-20180264128-A1 COMPOUNDS FOR MEDICINAL APPLICATIONS HAVCR2, ENGASE, DNPEP CYP2C19 1514/4885GABRR1 2011/4885CYP2D6 533/4885
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 CYP2C19 4080/4885GABRR1 2029/4885CYP2D6 3570/4885

“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.