SCHEMBL57735

SCHEMBL57735

O=[C]c1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAPK1 P28482 1/20 0.42
ESR2 Q92731 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FFAR1 O14842 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
BCAT2 O15382 1/20 0.40
GRM5 P41594 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PTGS2 P35354 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
SCHEMBL224641 0.93 CASP3 (0.42) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL6281274 0.84 MEN1 (0.40) ALDH1A1MAPK1ESR2TDP1BACE1
SCHEMBL8491741 0.83 FFAR1 (0.49) ALDH1A1HSD17B10HPGDESR2FFAR1
SCHEMBL4508095 0.82 HDAC4 (0.45) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL1644568 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL1826260 0.82 ESR2 (0.41) ALDH1A1HPGDMAPK1ESR2TDP1
SCHEMBL2795998 0.82 PTGS2 (0.47) ALDH1A1ESR2CASP3SENP8SENP7
SCHEMBL7996184 0.81 ESR2 (0.39) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL7764189 0.81 HDAC4 (0.53) ALDH1A1HSD17B10HPGDBCL2L1ESR2
SCHEMBL11393405 0.81 CYP2A6 (0.45) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6

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 1496 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118290333-A Novel inhibitors of gonorrhoeae-specific tyrosine phosphatase (LYP) 普渡研究基金会 2024-07-05 CN claimed
CN-115461056-B Inhibitors of Lebaba-specific tyrosine phosphatase (LYP) 普渡研究基金会 2024-04-16 CN claimed
US-11629130-B2 Lymphoid-specific tyrosine phosphatase (LYP) inhibitors PURDUE RESEARCH FOUNDATION (US) 2023-04-18 US claimed
EP-4135711-A1 NOVEL LYMPHOID-SPECIFIC TYROSINE PHOSPHATASE (LYP) INHIBITORS Purdue Research Foundation (US) 2023-02-22 EP claimed
CN-115505100-A Epoxy resin based on spirosilafluorene as skeleton and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN claimed
CN-115505099-A Epoxy resin containing carbazole structure and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN claimed
CN-115461056-A Novel lymphoid specific tyrosine phosphatase (LYP) inhibitors 普渡研究基金会 2022-12-09 CN claimed
CN-114895535-B Super-resolution lithography method based on double-step absorption effect and STED principle 之江实验室 2022-12-02 CN claimed
US-20210323926-A1 Novel Lymphoid-Specific Tyrosine Phosphatase (LYP) Inhibitors PURDUE RESEARCH FOUNDATION (US) 2021-10-21 US claimed
WO-2021211191-A1 NOVEL LYMPHOID-SPECIFIC TYROSINE PHOSPHATASE (LYP) INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2021-10-21 WO claimed
EP-0411332-A1 Antiviral peptides having a 2-oxoalkyl amino acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 EP claimed
EP-0408973-A1 Antiherpes pentapeptides BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-01-23 EP claimed
US-4942087-A LIQUID CRYSTALS, POLYESTERS, POLYLACTAMS COPOLYMERS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-07-17 US claimed
US-4923886-A VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-08 US claimed
EP-0323160-A2 Films of wholly aromatic polyester and processes for preparation thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-07-05 EP claimed
US-4808575-A BACTERICIDES, ANTIBIOTIC SCHERING CORPORATION (US) 1989-02-28 US claimed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US claimed
US-4260609-A Di- and tri- substituted thiazoles MERCK & CO., INC. (US) 1981-04-07 US claimed
US-4259341-A Di- and tri-substituted thiazoles MERCK & CO., INC. (US) 1981-03-31 US claimed
US-4233301-A ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1980-11-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11629130-B2 Lymphoid-specific tyrosine phosphatase (LYP) inhibitors PTPN22, PTPN1, PTPRCAP ALDH1A1 2774/4885HSD17B10 1823/4885HPGD 4245/4885
US-20210323926-A1 Novel Lymphoid-Specific Tyrosine Phosphatase (LYP) Inhibitors PTPN22, PTPN1, PTPRCAP ALDH1A1 2786/4885HSD17B10 1662/4885HPGD 4158/4885

“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.