SCHEMBL2210902

SCHEMBL2210902

CCCCCC1CCC(CC=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
PKM P14618 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
EPHX1 P07099 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
LSS P48449 2/20 0.35

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
SCHEMBL10833224 1.00 CYP1A2 (0.45) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL8754355 0.94 CYP1A2 (0.41) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL2211195 0.94 CYP1A2 (0.41) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL9060505 0.94 CYP1A2 (0.41) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL8753758 0.94 CYP1A2 (0.52) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL8755857 0.92 CYP1A2 (0.50) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL8755860 0.92 CYP1A2 (0.50) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL8755867 0.92 CYP1A2 (0.50) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL1249367 0.88 CYP1A2 (0.47) CYP1A2PKMMEN1KMT2AHTT
SCHEMBL2207128 0.85 CYP2C9 (0.36) CYP1A2MEN1KMT2ACYP2C9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605207-B2 Orthoester derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-03-28 US disclosed
CN-103443104-B There is compound, liquid-crystal composition and the liquid crystal display cells of 2,6,7-trioxa-l-phosphabicyclo [2.2.2] octane ring 捷恩智株式会社 2016-08-10 CN disclosed
CN-101035779-B Tetrahydropyran mixture, liquid crystal composition and liquid crystal display element containing the same JNC CORP 2015-06-03 CN disclosed
EP-2690103-A1 ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2014-01-29 EP disclosed
US-20140021407-A1 ORTHOESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-01-23 US disclosed
EP-2128149-B1 Tetrahydrofuran compound, liquid crystal composition and liquid crystal display device containing the liquid crystal composition JNC CORP (JP) 2013-07-24 EP disclosed
EP-1798228-B1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CONTAINING THE COMPOSITIONS JNC CORP (JP) 2012-11-14 EP disclosed
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7981486-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition JNC CORPORATION (JP) 2011-07-19 US disclosed
US-7846513-B2 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2010-12-07 US disclosed
EP-1798228-A1 TETRAHYDROPYRAN COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAYS CONTAINING THE COMPOSITIONS CHISSO CORPORATION (JP) 2007-06-20 EP disclosed
US-20060097226-A1 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION 2006-05-11 US disclosed
EP-1655360-A1 Compound having alkyl on benzene ring, liquid crystal compositions having the compound and liquid crystal display device having the liquid crystal composition CHISSO CORPORATION (JP) 2006-05-10 EP disclosed
US-20060071194-A1 Tetrahydrofuran compound, liquid crystal, composition and liquid crystal display device containing the liquid crystal composition JNC PETROCHEMICAL CORPORATION (JP) 2006-04-06 US disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
EP-0563981-B1 Cis-1,4-substituted 2-butene derivative CHISSO CORP (JP) 1997-01-22 EP disclosed
US-5401434-A Cis-1,4-substituted 2-butene derivative CHISSO CORPORATION (JP) 1995-03-28 US disclosed
US-5370819-A Low viscosity CHISSO CORPORATION (JP) 1994-12-06 US disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed
US-4630896-A Benzonitriles HOFFMANN-LA ROCHE INC. (US) 1986-12-23 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 (1 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-20060097226-A1 Compound having alkyl on benzene ring, liquid crystal composition having the compound, and liquid crystal display device having the liquid crystal composition BRD1, CNOT1, CXCR1 CYP1A2 155/4885PKM 4626/4885MEN1 1895/4885

“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.