SCHEMBL4929040

SCHEMBL4929040

CC/C=C\C[C@H]1CC[C@H](c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ESR2 Q92731 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GRM2 Q14416 1/20 0.33
DRD2 P14416 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
SCHEMBL4921301 1.00 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL4932358 1.00 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL7794181 1.00 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL4932360 1.00 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL9062385 0.86 KDM1A (0.48) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL9062391 0.86 KDM1A (0.48) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL8835178 0.83 KDM1A (0.39) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL9061313 0.82 L3MBTL1 (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL6335424 0.82 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2
SCHEMBL3437339 0.82 KDM1A (0.45) KDM1ARCOR1L3MBTL1TSHREPHX2

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 13 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-20040169159-A9 Phenylcyclohexanes and a liquid-crystalline medium MERCK KGAA (DE) 2004-09-02 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-20020043646-A1 Phenylcyclohexanes and a liquid-crystalline medium MERCK KGAA (DE) 2002-04-18 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
EP-0438563-B1 PHENYLCYCLOHEXANES AND LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 1994-12-07 EP 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 (4 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 KDM1A 3822/4885RCOR1 591/4885L3MBTL1 1108/4885
US-20080173844-A1 PHENYLCYCLOHEXANES AND A LIQUID-CRYSTALLINE MEDIUM CYP2F1, CYP4F3, POF1B KDM1A 3426/4885RCOR1 642/4885L3MBTL1 818/4885
US-20020043646-A1 Phenylcyclohexanes and a liquid-crystalline medium CYP2F1, HCFC1, CYP4F11 KDM1A 4021/4885RCOR1 547/4885L3MBTL1 1074/4885
US-20040169159-A9 Phenylcyclohexanes and a liquid-crystalline medium CYP2F1, HCFC1, CYP4F11 KDM1A 4021/4885RCOR1 547/4885L3MBTL1 1074/4885

“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.