SCHEMBL76840

SCHEMBL76840

O=C1CCC(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.63
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
SRD5A1 P18405 1/20 0.53
SLC18A3 Q16572 3/20 0.52
SIGMAR1 Q99720 1/20 0.52
GRIN2B Q13224 2/20 0.46
KDM4E B2RXH2 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
HPGD P15428 1/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
BRD4 O60885 1/20 0.42

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
Water SCHEMBL27808263 0.98 ESR2 (0.61) ESR2GAAMAPTSRD5A1SLC18A3
Hydrochloric Acid SCHEMBL9482318 0.96 ESR2 (0.59) ESR2GAAMAPTSRD5A1SLC18A3
SCHEMBL1074881 0.92 ESR2 (0.68) ESR2GAAMAPTSRD5A1SLC18A3
SCHEMBL14403055 0.87 ESR2 (0.78) ESR2GAAMAPTSRD5A1
SCHEMBL10726213 0.87 ESR2 (0.60) ESR2GAAMAPTSRD5A1SLC18A3
SCHEMBL8028320 0.87 ESR2 (0.50) ESR2GAAMAPTSRD5A1SLC18A3
SCHEMBL8028317 0.87 ESR2 (0.50) ESR2GAAMAPTSRD5A1SLC18A3
SCHEMBL4864740 0.86 GAA (0.63) ESR2GAAMAPTSRD5A1SLC18A3
SCHEMBL568689 0.86 GAA (0.63) ESR2GAAMAPTSRD5A1SLC18A3
SCHEMBL4878591 0.86 GAA (0.63) ESR2GAAMAPTSRD5A1SLC18A3

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 1203 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409615-A 2- (Indol-3-yl) phenol compound and synthesis method thereof 湘潭大学 2025-02-11 CN claimed
CN-118439921-A Preparation method of trans-1-bromo-4- [4- (trifluoroalkyl) cyclohexyl ] benzene compound 陕西莱特光电材料股份有限公司 2024-08-06 CN claimed
CN-118026995-A Dihydrotriazole aromatization precursor and application thereof in deacylating and arylating reaction of ketone 国科大杭州高等研究院 2024-05-14 CN claimed
CN-117126178-A Bisphenol thiazide compound and synthesis method thereof 湘潭大学 2023-11-28 CN claimed
CN-109678788-B 1, 2-diaryl indole, derivative and synthetic method thereof 湘潭大学 2021-05-04 CN claimed
CN-107619386-B Aromatic ring [ c ] carbazole derivative and synthesis method thereof 湘潭大学 2020-10-13 CN claimed
CN-107417705-B Imidazo [2,1-b] benzothiazole compound and its synthetic method 湘潭大学 2019-07-02 CN claimed
CN-109678788-A A kind of 1,2- diaryl indoles, derivative and its synthetic method 湘潭大学 2019-04-26 CN claimed
CN-108840824-A The preparation process of 4- phenyl cycloheptylamine 遵义医学院附属医院 2018-11-20 CN claimed
CN-104177298-B Bis- substitution -4,5- dihydros -1H of 4,4--imidazoles -5- ketone, derivative and its synthetic method 湘潭大学 2018-10-02 CN claimed
EP-2895442-A1 PROCESS FOR PRODUCING PHENOL AND/OR CYCLOHEXANONE FROM CYCLOHEXYLBENZENE ExxonMobil Chemical Patents Inc. (US) 2015-07-22 EP claimed
CN-104640827-A Process for producing phenol and/or cyclohexanone from cyclohexylbenzene EXXONMOBIL CHEM PATENTS INC 2015-05-20 CN claimed
CN-104387407-A 6-methyl-6H-benzo[4, 5]thiophene[2, 3-b]indole and derivatives thereof as well as synthesis method of 6-methyl-6H-benzo[4, 5]thiophene[2, 3-b]indole and derivatives thereof UNIV XIANGTAN 2015-03-04 CN claimed
WO-2014088842-A1 PROCESS FOR PRODUCING PHENOL EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-06-12 WO claimed
WO-2014043188-A1 PROCESS FOR PRODUCING PHENOL AND/OR CYCLOHEXANONE FROM CYCLOHEXYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-03-20 WO claimed
US-20040053991-A1 Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof COUNCIL SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-03-18 US claimed
WO-2003082852-A1 NOVEL SUBSTITUTED 1,2,4-TRIOXANES USEFUL AS ANTIMALARIAL AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-10-09 WO claimed
WO-1998015522-A2 METHOD FOR PREPARING TRANS-4-(4-AMINOMETHYLPHENYL) CYCLOHEXANOL DERIVATIVES SYNTHELABO (FR) 1998-04-16 WO claimed
US-4609677-A 1-PHENYL-1-CYCLOHEXENE AND 4-PHENYLCYCLOHEXANONE WARNER-LAMBERT COMPANY (US) 1986-09-02 US claimed
US-4578405-A 1-PHENYLCYCLOHEXENE, 4-PHENYLCYCLOHEXANONE WARNER-LAMBERT COMPANY (US) 1986-03-25 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 (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-20040053991-A1 Substituted 1,2,4-trioxanes useful as antimalarial agents and a process for the preparation thereof DHPS, TBXAS1, ABCC1 ESR2 3683/4885GAA 4291/4885MAPT 3696/4885

“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.