SCHEMBL780217

SCHEMBL780217

[CH]1CCCC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
TRPA1 O75762 1/20 0.42
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
KMO O15229 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL10405997 0.94 SLC18A3 (0.43) SLC18A3SIGMAR1TRPA1DRD2DRD1
SCHEMBL385172 0.89 SLC18A3 (0.48) SLC18A3SIGMAR1TRPA1DRD2CYP2D6
SCHEMBL16048164 0.87 SLC18A3 (0.48) SLC18A3SIGMAR1TRPA1KMOCYP2D6
SCHEMBL10519427 0.81 SLC18A3 (0.42) SLC18A3SIGMAR1TRPA1DRD2DRD1
SCHEMBL29097441 0.79 ALDH1A1 (0.41) SLC18A3MAPT
SCHEMBL7249097 0.79 ESR2 (0.52) CYP2D6
SCHEMBL60704 0.77 SLC18A3 (0.56) SLC18A3SIGMAR1DRD2CYP2D6CYP2C19
SCHEMBL2013478 0.76 SLC18A3 (0.48) SLC18A3SIGMAR1DRD3CYP2D6CYP2C19
SCHEMBL42580 0.76 SLC18A3 (0.61) SLC18A3SIGMAR1TRPA1KMOCYP2D6
SCHEMBL2050 0.76 SLC18A3 (0.61) SLC18A3SIGMAR1TRPA1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-02 US claimed
US-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A ST CO., LTD. (KR) 2019-10-17 US claimed
CN-110172058-A 7- azaspiro [5.6] dodecane -10- ketone compounds and preparation method thereof and purposes 中国医科大学 2019-08-27 CN claimed
EP-3523292-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS Dong-A Socio Holdings Co., Ltd. (KR) 2019-08-14 EP claimed
WO-2018071343-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2018-04-19 WO claimed
CN-104610363-B Phosphorous amide ligand and its preparation method and application 中山大学 2018-04-10 CN claimed
CN-104610363-A Phosphoramidite ligand as well as preparation method and application thereof UNIV SUN YAT SEN 2015-05-13 CN claimed
US-20090163724-A1 Carbonylation of Ethylenically Unsaturated Compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2009-06-25 US claimed
EP-1957198-A1 CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2008-08-20 EP claimed
WO-2007057640-A1 CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-05-24 WO claimed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
EP-3523292-B1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-15 EP disclosed
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-02 US disclosed
WO-2021078132-A1 INHIBITORS OF MTOR-MEDIATED INDUCTION OF AUTOPHAGY SIRONAX LTD (GB) 2021-04-29 WO disclosed
EP-3239111-B1 CURABLE COMPOSITION, TRANSFER FILM, FRONT PLATE OF IMAGE DISPLAY DEVICE, FRONT PLATE-INTEGRATED SENSOR, IMAGE DISPLAY DEVICE, AND MANUFACTURING METHOD FOR FRONT PLATE OF IMAGE DISPLAY DEVICE FUJIFILM CORP (JP) 2021-02-17 EP disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
US-5300503-A Larvicides FMC CORPORATION (US) 1994-04-05 US 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-20190315716-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB4 SLC18A3 3712/4885SIGMAR1 1204/4885TRPA1 3486/4885
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB2 SLC18A3 3210/4885SIGMAR1 924/4885TRPA1 3111/4885
US-20090163724-A1 Carbonylation of Ethylenically Unsaturated Compounds CBR3, ETFA, ACOX3 SLC18A3 2792/4885SIGMAR1 876/4885TRPA1 1771/4885

“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.