SCHEMBL756686

SCHEMBL756686

CCCc1ccc(-c2cc(F)cc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.46
CYP21A2 P08686 1/20 0.46
CYP11B1 P15538 1/20 0.46
CNR2 P34972 2/20 0.44
MME P08473 1/20 0.42
PGR P06401 4/20 0.41
MAOB P27338 4/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CHKA P35790 1/20 0.40
MCL1 Q07820 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAP4K4 O95819 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 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
SCHEMBL714257 0.87 CYP17A1 (0.53) CYP17A1CYP21A2CYP11B1CNR2MAOB
SCHEMBL8547681 0.87 CNR2 (0.54) CNR2MAOBTAAR1CHKAMCL1
SCHEMBL13033575 0.87 MAOB (0.40) CYP17A1CYP21A2CYP11B1CNR2MME
SCHEMBL21020527 0.86 CHKA (0.46) CYP17A1CYP21A2CYP11B1CNR2MME
SCHEMBL13033564 0.82 CYP17A1 (0.40) CYP17A1CYP21A2CYP11B1CNR2MME
SCHEMBL14525747 0.79 RARB (0.44) CYP17A1CYP21A2CYP11B1CNR2MAOB
SCHEMBL8990727 0.78 CYP17A1 (0.56) CYP17A1CYP21A2CYP11B1CNR2MAOB
SCHEMBL13349208 0.77 DAO (0.39) CYP17A1CYP21A2CYP11B1CNR2NPC1
SCHEMBL7552100 0.77 MAOB (0.59) MAOBTAAR1MCL1NPC1RAB9A
SCHEMBL7451380 0.77 MAOB (0.59) MAOBTAAR1MCL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586803-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-11-19 US disclosed
US-8586153-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-11-19 US disclosed
US-8586153-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-11-19 US disclosed
US-8586803-B2 Chlorofluorobenzene compound, optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2013-11-19 US disclosed
US-20130088658-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-11 US disclosed
US-20130088658-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-11 US disclosed
US-20130088658-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-11 US disclosed
US-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-04 US disclosed
US-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-04 US disclosed
US-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE HASEBA YASUHIRO (JP) 2013-04-04 US disclosed
US-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2010-11-25 US disclosed
US-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2010-11-25 US disclosed
US-7722783-B2 Optically isotropic liquid crystal medium and optical device CHISSO CORPORATION (JP) 2010-05-25 US disclosed
US-7722783-B2 Optically isotropic liquid crystal medium and optical device CHISSO CORPORATION (JP) 2010-05-25 US disclosed
US-7722783-B2 Optically isotropic liquid crystal medium and optical device CHISSO CORPORATION (JP) 2010-05-25 US disclosed
EP-2098583-A2 Optically isotropic liquid crystal medium and optical device Chisso Corporation (JP) 2009-09-09 EP disclosed
EP-2098583-A2 Optically isotropic liquid crystal medium and optical device Chisso Corporation (JP) 2009-09-09 EP disclosed
US-20090135368-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2009-05-28 US disclosed
US-20090135368-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2009-05-28 US disclosed
US-20090135368-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE CHISSO CORPORATION (JP) 2009-05-28 US 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-20130085306-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE DDT, BRAF, CFAP410 CYP17A1 1536/4885CYP21A2 1514/4885CYP11B1 1677/4885
US-20100296029-A1 CHLOROFLUOROBENZENE COMPOUND, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE DDT, BRAF, LEF1 CYP17A1 1551/4885CYP21A2 1326/4885CYP11B1 1933/4885

“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.