SCHEMBL1509950

SCHEMBL1509950

CCCC1CCC(C2CCC(CC=O)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.38
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL9625923 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9625925 1.00 TLR4 (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8753103 0.94 CYP2C9 (0.36) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2207128 0.94 CYP2C9 (0.36) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8755971 0.91 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8755977 0.91 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8031360 0.91 CYP2C9 (0.35) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1249367 0.88 CYP1A2 (0.47) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9060505 0.86 CYP1A2 (0.41) CYP2C9LMNAMAPTCYP1A2
SCHEMBL8754355 0.86 CYP1A2 (0.41) CYP2C9LMNAMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783481-B2 Carbonyl derivative, liquid crystal composition containing compound thereof and liquid crystal display device JNC CORPORATION (JP) 2017-10-10 US disclosed
US-9783481-B2 Carbonyl derivative, liquid crystal composition containing compound thereof and liquid crystal display device JNC CORPORATION (JP) 2017-10-10 US disclosed
US-9523036-B2 Phenolic compound having carbonyl as neighboring group and application thereof JNC CORPORATION (JP) 2016-12-20 US disclosed
US-9523036-B2 Phenolic compound having carbonyl as neighboring group and application thereof JNC CORPORATION (JP) 2016-12-20 US disclosed
US-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-08-06 US disclosed
US-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-08-06 US disclosed
US-20130306909-A1 PHENOLIC COMPOUND HAVING CARBONYL AS NEIGHBORING GROUP AND APPLICATION THEREOF JNC PETROCHEMICAL CORPORATION (JP) 2013-11-21 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-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-0990633-A1 PROCESSES FOR PRODUCING p-SUBSTITUTED PHENOLS CHISSO CORPORATION (JP) 2000-04-05 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
EP-0563981-A2 Cis-1,4-substituted 2-butene derivative Chisso Corporation (JP) 1993-10-06 EP disclosed
EP-0325796-B1 A LIQUID CRYSTAL COMPOUND AND A MIXTURE CONTAINING THE SAME Chisso Corporation (JP) 1992-03-11 EP disclosed
US-4877548-A STABLE TO HEAT, LIGHT, ELECTRICITY AND MOISTURE CHISSO CORPORATION (JP) 1989-10-31 US disclosed
EP-0325796-A1 A liquid crystal compound and a mixture containing the same Chisso Corporation (JP) 1989-08-02 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 (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-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE RCC2, RCC1, ROCK2 TLR4 3606/4885CYP2C9 1928/4885ALDH1A1 127/4885
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 TLR4 1994/4885CYP2C9 160/4885ALDH1A1 1134/4885

“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.