SCHEMBL2050

SCHEMBL2050

c1ccc(C2CCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.61
SIGMAR1 Q99720 1/20 0.61
CYP2D6 P10635 2/20 0.50
TRPA1 O75762 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL42580 0.94 SLC18A3 (0.61) SLC18A3SIGMAR1CYP2D6TRPA1CYP2C19
Hydrochloric Acid SCHEMBL8036483 0.92 SLC18A3 (0.58) SLC18A3SIGMAR1CYP2D6TRPA1CYP2C19
SCHEMBL42833 0.92 SLC18A3 (0.63) SLC18A3SIGMAR1CYP2D6TRPA1CYP2C19
SCHEMBL19262690 0.92 SLC18A3 (0.63) SLC18A3SIGMAR1CYP2D6TRPA1CYP2C19
SCHEMBL447032 0.92 SLC18A3 (0.63) SLC18A3SIGMAR1CYP2D6TRPA1CYP2C19
Hydrogen Peroxide SCHEMBL2352938 0.92 SLC18A3 (0.58) SLC18A3SIGMAR1CYP2D6TRPA1CYP1A2
SCHEMBL11562787 0.92 SLC18A3 (0.63) SLC18A3SIGMAR1CYP2D6TRPA1CYP2C19
SCHEMBL790829 0.92 SLC18A3 (0.63) SLC18A3SIGMAR1CYP2D6TRPA1CYP2C19
SCHEMBL19198566 0.92 SLC18A3 (0.63) SLC18A3SIGMAR1CYP2D6TRPA1CYP2C19
SCHEMBL30731352 0.92 SLC18A3 (0.63) SLC18A3SIGMAR1CYP2D6TRPA1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119842444-A Method for improving oxidation resistance and/or ultraviolet resistance of tea oil and application thereof 楠员木(厦门)生物科技有限公司 2025-04-18 CN claimed
CN-116102478-B Preparation method of 1, 4-dicarbonyl thiosemicarbazide compound and anti-infection application 中国医学科学院药物研究所 2025-04-15 CN claimed
US-20240109866-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2024-04-04 US claimed
CN-116102478-A Preparation method of 1, 4-dicarbonyl thiosemicarbazide compound and anti-infection application 中国医学科学院药物研究所 2023-05-12 CN claimed
EP-4165033-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-04-19 EP claimed
CN-115851038-A Ternary solvent-based red quantum dot ink-jet ink and preparation method thereof 北京印刷学院 2023-03-28 CN claimed
CN-112094535-B Ink formulation, photovoltaic device, and method of making the same 纳晶科技股份有限公司 2022-09-09 CN claimed
US-11299648-B2 Polymer, coating composition comprising same, and organic light emitting diode using same LG CHEM, LTD. 2022-04-12 US claimed
WO-2021249449-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-12-16 WO claimed
CN-113122054-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
WO-1995007901-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1995-03-23 WO claimed
WO-1994001388-A1 CYCLOBUTABENZENE MONOMERS AND METHODS OF MAKING AND USING SAME UNIVERSITY OF MICHIGAN (US) 1994-01-20 WO claimed
US-4833143-A PHENYL CYCLOBUTYL HETEROCYCLIC AMINES AND AMIDES THE BOOTS COMPANY PLC (GB) 1989-05-23 US claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
US-4394385-A ANTIEDEMIC AGENTS; BRAIN INJURIES; NERVOUS SYSTEM DISORDERS MERCK & CO., INC. (US) 1983-07-19 US claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP claimed
EP-0002620-B1 CYCLOALKYL CARBOXYLIC ESTERS, INSECTICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR PREPARATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1981-11-25 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed
EP-0002620-A1 Cycloalkyl carboxylic esters, insecticidal compositions containing them, and methods for their preparation COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1979-06-27 EP 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 (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-20240109866-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R SLC18A3 641/4885SIGMAR1 516/4885CYP2D6 1931/4885

“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.