SCHEMBL3054783

SCHEMBL3054783

C=CCC1CCC(c2ccc(Br)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.41
ESR1 P03372 6/20 0.41
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
KDM1A O60341 5/20 0.33
RCOR1 Q9UKL0 3/20 0.33
KCNH2 Q12809 2/20 0.33
MAOB P27338 2/20 0.33
KDM1B Q8NB78 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL6677446 1.00 ESR2 (0.41) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL11331114 0.95 ESR2 (0.38) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL11331112 0.95 ESR2 (0.38) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL11210597 0.91 ESR2 (0.47) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL11210601 0.91 ESR2 (0.47) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10935701 0.85 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL11217896 0.85 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10904861 0.85 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL10935713 0.85 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4CYP2D6
SCHEMBL11217898 0.85 ESR2 (0.43) ESR2ESR1CYP2C9CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62181262-A None JP disclosed
JP-58208241-A None JP disclosed
CN-106967443-A The preparation method of alkyl cyclohexyl biphenyl nitrile liquid-crystal compounds 烟台德润液晶材料有限公司 2017-07-21 CN disclosed
EP-2457888-B1 Process for isomerization of alkylcyclohexylbenzene MITSUBISHI GAS CHEMICAL CO (JP) 2013-12-04 EP disclosed
EP-2017252-B1 PREPARATION OF 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE MITSUBISHI GAS CHEMICAL CO (JP) 2012-12-19 EP disclosed
EP-2457888-A1 Process for isomerization of alkylcyclohexylbenzene Mitsubishi Gas Chemical Company, Inc. (JP) 2012-05-30 EP disclosed
US-7777081-B2 4-(4-alkylcyclohexyl)benzaldehyde MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-08-17 US disclosed
US-20090118547-A1 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-05-07 US disclosed
EP-2017252-A1 4-(4-ALKYLCYCLOHEXYL)BENZALDEHYDE Mitsubishi Gas Chemical Company, Inc. (JP) 2009-01-21 EP disclosed
EP-0893423-B1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORP (JP) 2004-09-01 EP disclosed
WO-2004067623-A2 POLYMIDE RESIN FOR NON-RUBBING VERTICAL ALIGNMENT MATERIALS AND PREPARATION METHOD THEREOF KIM YONG-BAE (KR) 2004-08-12 WO disclosed
EP-0893423-A1 LIQUID CRYSTAL COMPOUNDS HAVING FLUORINATED LINKAGES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY DEVICES CHISSO CORPORATION (JP) 1999-01-27 EP disclosed
US-5061400-A WIDE TEMPERATURE RANGE, HIGH RESPONSE SPEED, LOW DRIVING VOLTAGE SEIKO EPSON CORPORATION (JP) 1991-10-29 US disclosed
JP-S62181262-A LIQUID CRYSTAL COMPOUND SEIKO EPSON CORP 1987-08-08 JP disclosed
JP-S58208241-A PREPARATION OF 4,4'-BIS-(TRANS-4-ALKYLCYCLOHEXYL)-BIPHENYL COMPOUND HAMASAWA KOGYO:KK 1983-12-03 JP disclosed
EP-0030277-B1 PARTIALLY HYDROGENATED OLIGO-1,4-PHENYLENES, DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL INDICATING DEVICE MERCK PATENT GmbH (DE) 1983-07-27 EP disclosed
US-4331552-A Liquid crystalline, partially hydrogenated oligo-1,4-phenylenes and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-05-25 US 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

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 ESR2 2745/4885ESR1 3370/4885CYP2C9 86/4885

“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.