SCHEMBL867151

SCHEMBL867151

O=C(CC1CC1)c1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
SIGMAR1 Q99720 3/20 0.51
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
HRH3 Q9Y5N1 1/20 0.49
ERCC5 P28715 1/20 0.48
FEN1 P39748 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL29171625 0.91 NPC1 (0.56) GSK3BHRH3MAPT
Hydrochloric Acid SCHEMBL11095307 0.86 GSK3B (0.46) GSK3BSIGMAR1HRH3KDM4E
SCHEMBL7358604 0.86 SIGMAR1 (0.74) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL5321242 0.84 MEN1 (0.51) GSK3BSIGMAR1DRD2HTR2AHTR2C
SCHEMBL15536848 0.84 MAPT (0.50) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL11095799 0.82 ALDH1A1 (0.55) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL17141124 0.82 SIGMAR1 (0.53) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL5454981 0.81 HTR3E (0.46) GSK3BHRH3ERCC5FEN1KDM4E
SCHEMBL5454976 0.81 HTR3E (0.46) GSK3BHRH3ERCC5FEN1KDM4E
SCHEMBL5469826 0.80 DRD2 (0.73) SIGMAR1DRD2HTR2AHTR2CHTR2B

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111472056-B Purifying CO in waste gas2Adsorption film, preparation method and regeneration method 上海凯矜新材料科技有限公司 2021-05-07 CN disclosed
CN-107721834-B Preparation method of 1- (4-chlorphenyl) -2-cyclopropyl-1-acetone 青岛润农化工有限公司 2021-02-12 CN disclosed
CN-111472056-A Purifying CO in waste gas2Adsorption film, preparation method and regeneration method 成都其其小数科技有限公司 2020-07-31 CN disclosed
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 WO disclosed
WO-2017031325-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2017-02-23 WO disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US disclosed
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 US disclosed
EP-2440535-A1 ANTIFUNGAL 1,2,4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2012-04-18 EP disclosed
US-20120077676-A1 Antifungal 1,2,4-Triazolyl Derivatives Having a 5-Sulfur Substituent BASF SE (DE) 2012-03-29 US disclosed
WO-2010142779-A1 ANTIFUNGAL 1,2,4-TRIAZOLYL DERIVATIVES HAVING A 5- SULFUR SUBSTITUENT BASF SE (DE) 2010-12-16 WO disclosed
US-5770741-A FUNGICIDE INTERMEDIATE SANDOZ LTD. (CH) 1998-06-23 US disclosed
EP-0321409-B1 CYCLOPROPANE DERIVATIVES SANDOZ AG (CH) 1993-03-17 EP disclosed
US-4973767-A SUBSTITUTED ETHANOLS, CHEMICAL INTERMEDIATES FOR FUNGICIDES SANDOZ LTD. (CH) 1990-11-27 US disclosed
US-4849439-A α-phenyl-α-cyclopropylalkyene-1H-imidazole- and 1,2,4 triazole-ethanols as antimycotic agents SANDOZ LTD. (CH) 1989-07-18 US disclosed
EP-0321409-A2 Cyclopropane derivatives SANDOZ AG (CH) 1989-06-21 EP disclosed
US-4664696-A PHYTOPATHOGENS SANDOZ LTD. (CH) 1987-05-12 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 (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-20120077676-A1 Antifungal 1,2,4-Triazolyl Derivatives Having a 5-Sulfur Substituent ERG28, STS, CYP51A1 GSK3B 2253/4885SIGMAR1 3020/4885DRD2 1848/4885
US-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC GSK3B 242/4885SIGMAR1 588/4885DRD2 661/4885

“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.