SCHEMBL4931475

SCHEMBL4931475

O=C[C@H]1CC[C@H](c2ccc(F)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
USP5 P45974 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HCRTR2 O43614 3/20 0.36
KDM1A O60341 2/20 0.35
MAOB P27338 1/20 0.35
GRIA4 P48058 1/20 0.35
CCR2 P41597 1/20 0.34
ESR2 Q92731 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCD5 Q86SK9 1/20 0.33
HDAC2 Q92769 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
SCHEMBL4931479 1.00 USP30 (0.38) USP30HTR2AHTR2CHTR2BUSP5
SCHEMBL8451674 0.95 USP5 (0.37) USP30HTR2AHTR2CHTR2BUSP5
SCHEMBL2272516 0.95 USP5 (0.37) USP30HTR2AHTR2CHTR2BUSP5
SCHEMBL2272518 0.95 USP5 (0.37) USP30HTR2AHTR2CHTR2BUSP5
SCHEMBL2272522 0.95 USP5 (0.37) USP30HTR2AHTR2CHTR2BUSP5
SCHEMBL9312459 0.91 USP30 (0.39) USP30HTR2AHTR2CHTR2BUSP5
SCHEMBL8517432 0.91 USP30 (0.39) USP30HTR2AHTR2CHTR2BUSP5
Trifluoroacetic Acid SCHEMBL28713069 0.88 DPP4 (0.38) USP30USP5HDAC6HCRTR2KDM1A
SCHEMBL8379901 0.87 P2RY14 (0.39) KDM1AHDAC2
SCHEMBL8378329 0.87 P2RY14 (0.39) KDM1AHDAC2

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 25 patents — showing the first 20. 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
EP-0438574-B1 2,5-DISUBSTITUTED HETEROCYCLES AND MESOMORPHOUS MEDIUM MERCK PATENT GMBH (DE) 1995-01-25 EP disclosed
EP-0438563-B1 PHENYLCYCLOHEXANES AND LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 1994-12-07 EP disclosed
US-5322638-A Halophenyl substituted dioxanes HOFFMANN-LA ROCHE INC. (US) 1994-06-21 US disclosed
EP-0422958-B1 Dicyclohexylethylene derivatives CHISSO CORP (JP) 1994-04-27 EP disclosed
US-5250220-A Electro-optical displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-05 US disclosed
US-5055220-A For liquid crystal displays CHISSO CORPORATION (JP) 1991-10-08 US disclosed
EP-0433836-A2 Halophenyl substituted dioxanes F. HOFFMANN-LA ROCHE AG (CH) 1991-06-26 EP disclosed
EP-0422958-A1 Dicyclohexylethylene derivatives Chisso Corporation (JP) 1991-04-17 EP disclosed
WO-1991002709-A1 PHENYLCYCLOHEXANES AND LIQUID CRYSTAL MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-07 WO disclosed
WO-1991002780-A1 2,5-DISUBSTITUTED HETEROCYCLES AND MESOMORPHOUS 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 USP30 4672/4885HTR2A 1623/4885HTR2C 540/4885
US-20080173844-A1 PHENYLCYCLOHEXANES AND A LIQUID-CRYSTALLINE MEDIUM CYP2F1, CYP4F3, POF1B USP30 3808/4885HTR2A 1644/4885HTR2C 593/4885
US-20020043646-A1 Phenylcyclohexanes and a liquid-crystalline medium CYP2F1, HCFC1, CYP4F11 USP30 4763/4885HTR2A 1789/4885HTR2C 609/4885
US-20040169159-A9 Phenylcyclohexanes and a liquid-crystalline medium CYP2F1, HCFC1, CYP4F11 USP30 4763/4885HTR2A 1789/4885HTR2C 609/4885

“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.