SCHEMBL4930973

SCHEMBL4930973

C=CCC(C)(C)C1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.33
HTR2A P28223 4/20 0.33
SLC6A2 P23975 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2B P41595 2/20 0.33
SLC6A3 Q01959 2/20 0.33
GRM2 Q14416 2/20 0.32
ESR2 Q92731 2/20 0.31
FAAH O00519 1/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30

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
SCHEMBL4930964 1.00 MAP1LC3B (0.33) MAP1LC3BHTR2ASLC6A2HTR2CSLC6A4
SCHEMBL13639649 0.76
SCHEMBL21338789 0.73 MAP1LC3B (0.37) MAP1LC3BHTR2AESR2HTR1ADRD2
SCHEMBL11308480 0.72 ESR2 (0.41) MAP1LC3BHTR2ASLC6A2HTR2CSLC6A4
SCHEMBL1066184 0.72 KDM1A (0.48) MAP1LC3BHTR2ASLC6A2HTR2CSLC6A4
SCHEMBL18161913 0.72 KDM1A (0.48) MAP1LC3BHTR2ASLC6A2HTR2CSLC6A4
SCHEMBL11498006 0.72 ALDH1A1 (0.36) MAP1LC3BHTR2ASLC6A2HTR2CSLC6A4
SCHEMBL22209655 0.70 SLC18A3 (0.39) MAP1LC3BHTR2ASLC6A2HTR2CSLC6A4
Ammonia Solution, Strong SCHEMBL22408764 0.70 KDM1A (0.46) MAP1LC3BHTR2ASLC6A2HTR2CSLC6A4
SCHEMBL9013796 0.70 ESR2 (0.41) HTR2AGRM2ESR2HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080173844-A1 PHENYLCYCLOHEXANES AND A LIQUID-CRYSTALLINE MEDIUM WACHTLER ANDREAS 2008-07-24 US disclosed
US-7250199-B2 Phenylcyclohexanes and a liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-07-31 US disclosed
US-6955837-B2 Phenylcyclohexanes and a liquid-crystalline medium MERCK PATENT GMBH (DE) 2005-10-18 US disclosed
US-20050133763-A1 Phenylcyclohexanes and a liquid-crystalline medium WACHTLER ANDREAS (DE) 2005-06-23 US disclosed
US-20040089845-A1 Phenylcyclohexanes and a liquid-crystalline medium WACHTLER ANDREAS (DE) 2004-05-13 US disclosed
US-6677002-B2 FLUORO, OXYMETHYLDIFLUORO OR OXYMETHYLTRIFLUORO, CHLORO OR CYANO DERIVATIVES OF PHENYLCYCLOHEXANES AS COMPONENTS OF LIQUID CRYSTALLINE MEDIA FOR ELECTROOPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-01-13 US disclosed
US-6284154-B1 FOR LIQUID CRYSTAL CELLS, ELECTROPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-09-04 US disclosed
US-20010015422-A1 Phenylcyclohexanes and a liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2001-08-23 US disclosed
US-5891360-A ELECTROOPTICAL DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DE) 1999-04-06 US disclosed
US-5458805-A Phenylcyclohexanes and a liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-10-17 US disclosed
WO-1991002709-A1 PHENYLCYCLOHEXANES AND LIQUID CRYSTAL MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO 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-20040089845-A1 Phenylcyclohexanes and a liquid-crystalline medium HCFC1, CYP2F1, CCR1 MAP1LC3B 2020/4885HTR2A 1623/4885SLC6A2 1921/4885
US-20080173844-A1 PHENYLCYCLOHEXANES AND A LIQUID-CRYSTALLINE MEDIUM CYP2F1, CYP4F3, POF1B MAP1LC3B 1655/4885HTR2A 1644/4885SLC6A2 3075/4885

“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.