SCHEMBL7511645

SCHEMBL7511645

CCC1CCC(CCC2CCC(c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
ESR2 Q92731 3/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
TRPV3 Q8NET8 1/20 0.36
USP30 Q70CQ3 1/20 0.36
OPRL1 P41146 2/20 0.35
USP5 P45974 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HCRTR2 O43614 2/20 0.34
CCR2 P41597 1/20 0.34
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7756551 1.00 CYP2C9 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL8452150 1.00 CYP2C9 (0.40) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL12012971 0.95 CYP2C9 (0.38) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL18511908 0.95 CYP2C9 (0.38) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL8467336 0.95 HTR2A (0.40) CYP2C9ESR2HTR2AHTR2CHTR2B
SCHEMBL5683749 0.90 HTR2A (0.37) CYP2C9ESR2HTR2AHTR2CHTR2B
SCHEMBL18511910 0.90 HTR2A (0.37) CYP2C9ESR2HTR2AHTR2CHTR2B
SCHEMBL7594396 0.90 CYP2C9 (0.50) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL7507561 0.90 CYP2C9 (0.50) CYP2C9ESR2ALDH1A1LMNAMAPT
SCHEMBL8452476 0.90 CYP2C9 (0.50) CYP2C9ESR2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193066-B2 Polymerizable compound and composition, liquid crystal composite, optical anisotropic body, liquid crystal display device and use thereof JNC CORPORATION (JP) 2021-12-07 US disclosed
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 US disclosed
EP-3722278-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2020-10-14 EP disclosed
US-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-09-24 US disclosed
US-10759998-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display element JNC CORPORATION (JP) 2020-09-01 US disclosed
EP-3495450-B1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2020-08-05 EP disclosed
US-20200239775-A1 TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-07-30 US disclosed
US-10676669-B2 Compound having naphthalene ring, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-06-09 US disclosed
US-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-26 US disclosed
US-10563126-B2 Liquid crystal compound having benzothiophene, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-02-18 US disclosed
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 EP disclosed
EP-0718387-A1 A liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-26 EP disclosed
EP-0718264-A1 A liquid crystalline compound containing fluorine atom substituted alkyl group(s) and a liquid crystal composition Chisso Corporation (JP) 1996-06-26 EP disclosed
EP-0704512-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-04-03 EP disclosed
US-5496501-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed
EP-0675187-A2 Liquid crystalline compounds and liquid crystal composition Chisso Corporation (JP) 1995-10-04 EP disclosed
EP-0672742-A1 A hexenediyne derivative and a liquid crystal composition CHISSO CORPORATION (JP) 1995-09-20 EP disclosed
EP-0657460-A1 A silacyclohexane compound, a method of prepraring it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-06-14 EP disclosed
EP-0640578-A1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition Chisso Corporation (JP) 1995-03-01 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 (5 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-11193066-B2 Polymerizable compound and composition, liquid crystal composite, optical anisotropic body, liquid crystal display device and use thereof OCIAD2, PYM1, C1S CYP2C9 3551/4885ESR2 4495/4885ALDH1A1 4091/4885
US-10662379-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device SP1, MBD2, PAXBP1 CYP2C9 3761/4885ESR2 1970/4885ALDH1A1 3826/4885
US-10676669-B2 Compound having naphthalene ring, liquid crystal composition and liquid crystal display device PYM1, CXCR1, CPNE4 CYP2C9 760/4885ESR2 1913/4885ALDH1A1 2514/4885
US-10759998-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display element SP1, SFXN3, SFXN1 CYP2C9 4664/4885ESR2 2449/4885ALDH1A1 3968/4885
US-20200299578-A1 POLYMERIZABLE COMPOUND HAVING METHOXYMETHYL ACRYLIC GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, CCND1, CPNE4 CYP2C9 3951/4885ESR2 1627/4885ALDH1A1 1924/4885

“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.