SCHEMBL158141

SCHEMBL158141

[CH2]c1cc(O)c2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.61
TRPM4 Q8TD43 1/20 0.58
CYP1A2 P05177 2/20 0.50
PTPN1 P18031 1/20 0.44
ALOX5 P09917 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
PLAU P00749 1/20 0.41
IDO1 P14902 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
MPI P34949 1/20 0.39
ERN1 O75460 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL29351048 0.76 NQO2 (1.00) NQO2TRPM4CYP1A2PTPN1ALOX5
SCHEMBL5147716 0.76 NQO2 (1.00) NQO2TRPM4CYP1A2PTPN1ALOX5
SCHEMBL6834828 0.76 ALDH1A1 (0.44) NQO2TRPM4CYP1A2ALDH1A1HSD17B10
SCHEMBL28681 0.76 NQO2 (1.00) NQO2TRPM4CYP1A2PTPN1ALOX5
SCHEMBL8196720 0.76 NQO2 (0.67) NQO2TRPM4CYP1A2PTPN1ALOX5
Formaldehyde SCHEMBL27590428 0.76 NQO2 (0.87) NQO2TRPM4CYP1A2PTPN1ALOX5
SCHEMBL7838457 0.76 PLAU (0.59) NQO2CYP1A2PLAUIDO1KDM4E
Naphthalene SCHEMBL25439100 0.74 NQO2 (0.95) NQO2TRPM4CYP1A2PTPN1ALOX5
SCHEMBL30260060 0.74 NQO2 (0.64) NQO2TRPM4CYP1A2PTPN1ALOX5
SCHEMBL4962010 0.74 NQO2 (0.64) NQO2TRPM4CYP1A2PTPN1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230390246-A1 Compounds and Compositions That Bind and Stabilize Transthyretin and Their Use for Inhibiting Transthyretin Amyloidosis and Protein-Protein Interactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-12-07 US disclosed
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 US disclosed
US-20230105307-A1 Identification of Stabilizers of Multimeric Proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-04-06 US disclosed
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 US disclosed
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-30 US disclosed
US-11337935-B2 Identification of stabilizers of multimeric proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-05-24 US disclosed
EP-3935042-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF Conatus Pharmaceuticals, Inc. (US) 2022-01-12 EP disclosed
US-11136362-B2 Peptide modulators of specific calcineurin protein-protein interactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-10-05 US disclosed
US-11129902-B2 Enhanced SN-38 anticancer agent Alhamadsheh, Mamoun M. (US) 2021-09-28 US disclosed
US-20210277014-A1 (S)-3-(2-(4-(BENZYL)-3-OXOPIPERAZIN-1-YL)ACETAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CASPASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES HISTOGEN, INC. 2021-09-09 US disclosed
EP-0890101-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1999-01-13 EP disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
WO-1998010778-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1β-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS, INC. (US) 1998-03-19 WO disclosed
WO-1998011129-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INCORPORATED (US) 1998-03-19 WO disclosed
WO-1997033174-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-09-12 WO disclosed
CN-1157288-A Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1997-08-20 CN disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP 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 (8 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-20230105307-A1 Identification of Stabilizers of Multimeric Proteins TTR, HSPBP1, HSPH1 NQO2 3501/4885TRPM4 1739/4885CYP1A2 4703/4885
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 NQO2 2037/4885TRPM4 3670/4885CYP1A2 1018/4885
US-20210277014-A1 (S)-3-(2-(4-(BENZYL)-3-OXOPIPERAZIN-1-YL)ACETAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CASPASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CASP1, CASP3, CASP6 NQO2 3484/4885TRPM4 1183/4885CYP1A2 742/4885
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP NQO2 2160/4885TRPM4 4101/4885CYP1A2 4228/4885
US-11337935-B2 Identification of stabilizers of multimeric proteins TTR, HSPBP1, HSPH1 NQO2 3501/4885TRPM4 1739/4885CYP1A2 4703/4885
US-20230390246-A1 Compounds and Compositions That Bind and Stabilize Transthyretin and Their Use for Inhibiting Transthyretin Amyloidosis and Protein-Protein Interactions TTR, PRNP, APP NQO2 4007/4885TRPM4 4233/4885CYP1A2 3658/4885
US-11129902-B2 Enhanced SN-38 anticancer agent LENG8, TSG101, CD47 NQO2 4066/4885TRPM4 4851/4885CYP1A2 3964/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 NQO2 2037/4885TRPM4 3670/4885CYP1A2 1018/4885

“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.