SCHEMBL3054375

SCHEMBL3054375

C=CCC1CCC(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
IDO1 P14902 3/20 0.43
GRIN2B Q13224 1/20 0.40
DRD2 P14416 1/20 0.40
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ESR2 Q92731 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3056351 1.00 SLC18A3 (0.44) SLC18A3SIGMAR1IDO1GRIN2BDRD2
SCHEMBL10815112 0.95 IDO1 (0.40) SLC18A3SIGMAR1IDO1GRIN2BDRD2
SCHEMBL11313360 0.95 IDO1 (0.40) SLC18A3SIGMAR1IDO1GRIN2BDRD2
SCHEMBL10783696 0.95 IDO1 (0.40) SLC18A3SIGMAR1IDO1GRIN2BDRD2
SCHEMBL9242051 0.95 IDO1 (0.40) SLC18A3SIGMAR1IDO1GRIN2BDRD2
SCHEMBL9242057 0.95 IDO1 (0.40) SLC18A3SIGMAR1IDO1GRIN2BDRD2
SCHEMBL11210597 0.90 ESR2 (0.47) ESR1CYP3A4CYP2C9ESR2CYP2D6
SCHEMBL11210601 0.90 ESR2 (0.47) ESR1CYP3A4CYP2C9ESR2CYP2D6
SCHEMBL9306498 0.90 NPC1 (0.50) SLC18A3SIGMAR1IDO1ESR1CYP3A4
SCHEMBL8575153 0.90 NPC1 (0.50) SLC18A3SIGMAR1IDO1ESR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107573212-B Synthesis method of trans-4-alkyl cyclohexyl benzene structure liquid crystal intermediate and monomer 宁夏中星显示材料有限公司 2020-08-04 CN claimed
CN-107573212-A The synthetic method of trans 4 alkyl-cyclohexyl benzene structure liquid crystal intermediates and monomer 河北美星化工有限公司 2018-01-12 CN claimed
CN-107253942-A Double end alkyl cyclohexyl biphenyl derivatives of side difluoro methylene ether bridged bond and preparation method and application 清华大学 2017-10-17 CN claimed
EP-2457888-B1 Process for isomerization of alkylcyclohexylbenzene MITSUBISHI GAS CHEMICAL CO (JP) 2013-12-04 EP claimed
EP-2017252-B1 PREPARATION OF 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE MITSUBISHI GAS CHEMICAL CO (JP) 2012-12-19 EP claimed
EP-2457888-A1 Process for isomerization of alkylcyclohexylbenzene Mitsubishi Gas Chemical Company, Inc. (JP) 2012-05-30 EP claimed
US-7777081-B2 4-(4-alkylcyclohexyl)benzaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-08-17 US claimed
US-20090118547-A1 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-05-07 US claimed
EP-2017252-A1 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE Mitsubishi Gas Chemical Company, Inc. (JP) 2009-01-21 EP claimed
JP-6001727-A None JP disclosed
JP-60152427-A None JP disclosed
JP-60155142-A None JP disclosed
JP-7041435-A None JP disclosed
JP-5201881-A None JP disclosed
EP-0002136-B1 SUBSTITUTED BENZONITRILES, THEIR PREPARATION, LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM AND DISPLAY DEVICES EMPLOYING SUCH COMPOSITIONS Chisso Corporation (JP) 1981-10-21 EP disclosed
EP-0030277-A1 Partially hydrogenated oligo-1,4-phenylenes, dielectrics containing them and electro-optical indicating device MERCK PATENT GmbH (DE) 1981-06-17 EP disclosed
US-4229367-A Preparation of trans-4-alkyl-cyanoarylcyclohexanes SIEGFRIED AKTIENGESELLSCHAFT (CH) 1980-10-21 US disclosed
EP-0014840-A1 Fluorphenyl-trans-cyclohexanes, process for their preparation, liquid crystalline dielectrics containing them and electrooptical displaying means MERCK PATENT GmbH (DE) 1980-09-03 EP disclosed
US-4211666-A ALKYLCYCLOHEXENES WITH A CYANOPHENYL OR CYANOBIPHENYL GROUP CHISSO CORPORATION (JP) 1980-07-08 US disclosed
EP-0002136-A1 Substituted benzonitriles, their preparation, liquid crystal compositions containing them and display devices employing such compositions Chisso Corporation (JP) 1979-05-30 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 (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-20090118547-A1 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE CYP4F3, AFF4, COXFA4 SLC18A3 2895/4885SIGMAR1 3038/4885IDO1 1834/4885

“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.