SCHEMBL2448396

SCHEMBL2448396

CC(=O)C1CCC(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.61
AKR1C1 Q04828 1/20 0.61
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
DEGS1 O15121 1/20 0.48
SLC18A3 Q16572 7/20 0.46
SIGMAR1 Q99720 1/20 0.45
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
NPY5R Q15761 1/20 0.43

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
SCHEMBL1836974 1.00 AKR1C3 (0.61) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL19868903 1.00 AKR1C3 (0.61) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL3516198 0.83 NPC1 (0.79) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL2511695 0.83 NPC1 (0.79) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL664284 0.83 NPC1 (0.79) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL11099195 0.83 AKR1C3 (0.66) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL1944663 0.83 AKR1C3 (0.56) AKR1C3AKR1C1NPC1RAB9ADEGS1
Bicarbonate SCHEMBL1720488 0.83 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9ADEGS1
Bicarbonate SCHEMBL7573346 0.83 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL15043523 0.82 NPC1 (0.47) AKR1C3AKR1C1NPC1RAB9ASLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118851895-A Method for continuously synthesizing 4-acetylcyclohexylbenzene by using microchannel reactor 品恩赢创(苏州)新材料科技有限公司 2024-10-29 CN claimed
CN-112341320-A Novel synthesis method of p- (trans-4-hydroxycyclohexyl) phenol 烟台丰鲁精细化工有限责任公司 2021-02-09 CN claimed
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds GRUNENTHAL GMBH (DE) 2004-11-11 US claimed
EP-1444212-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2004-08-11 EP claimed
WO-2003037879-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2003-05-08 WO claimed
CN-118851895-A Method for continuously synthesizing 4-acetylcyclohexylbenzene by using microchannel reactor 品恩赢创(苏州)新材料科技有限公司 2024-10-29 CN disclosed
CN-118851895-A Method for continuously synthesizing 4-acetylcyclohexylbenzene by using microchannel reactor 品恩赢创(苏州)新材料科技有限公司 2024-10-29 CN disclosed
CN-118851895-A Method for continuously synthesizing 4-acetylcyclohexylbenzene by using microchannel reactor 品恩赢创(苏州)新材料科技有限公司 2024-10-29 CN disclosed
US-11034725-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2021-06-15 US disclosed
CN-112341320-A Novel synthesis method of p- (trans-4-hydroxycyclohexyl) phenol 烟台丰鲁精细化工有限责任公司 2021-02-09 CN disclosed
CN-112341320-A Novel synthesis method of p- (trans-4-hydroxycyclohexyl) phenol 烟台丰鲁精细化工有限责任公司 2021-02-09 CN disclosed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US disclosed
CN-1022490-C Liquid crystal mixture BROTSKEY MILITARY TECHNOLOGY A (PL) 1993-10-20 CN disclosed
CN-87101284-A Preparation of liquid crystalline cyclohexylbenzene derivatives and novel nematic mixtures containing them BROTSKEY MILITARY TECHNOLOGY A (PL) 1988-12-14 CN disclosed
EP-0272580-A2 Liquidcrystalline cyclohexylbenzene derivatives their manufacturing and novel nematic admixtures containing same Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego (PL) 1988-06-29 EP disclosed
EP-0102047-B1 1-(TRANS-4-ALKYLCYCLOHEXYL)-2-(TRANS-4'-(P-SUBSTITUTED PHENYL)CYCLOHEXYL)ETHANE AND LIQUID CRYSTAL MIXTURE ASAHI GLASS COMPANY LTD. (JP) 1986-05-07 EP disclosed
US-4514044-A 1-(Trans-4-alkylcyclohexyl)-2-(trans-4'-(p-substituted phenyl) cyclohexyl)ethane and liquid crystal mixture ASAHI GLASS COMPANY LTD. (JP) 1985-04-30 US disclosed
EP-0102047-A1 1-(Trans-4-alkylcyclohexyl)-2-(trans-4'-(p-substituted phenyl)cyclohexyl)ethane and liquid crystal mixture ASAHI GLASS COMPANY LTD. (JP) 1984-03-07 EP disclosed
US-4237026-A Liquid crystalline carboxylic acid esters MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-02 US disclosed
EP-0012820-A1 Liquid crystalline carboxylic acid esters, process for their preparation, dielectrics containing them and electro-optical display device MERCK PATENT GmbH (DE) 1980-07-09 EP 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-11034725-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 AKR1C3 824/4885AKR1C1 1393/4885NPC1 161/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 AKR1C3 824/4885AKR1C1 1393/4885NPC1 161/4885
US-20040224954-A1 Substituted 1H-quinoxalin-2-one compounds and substituted 4-aryl- and 4-heteroarylcyclohexane compounds NQO2, NQO1, CYP2C8 AKR1C3 1047/4885AKR1C1 1102/4885NPC1 1444/4885

“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.