SCHEMBL8729065

SCHEMBL8729065

CCCC1CCC(C2CCC(CC(=O)O)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.43
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
MAPT P10636 3/20 0.40
CYP2C9 P11712 1/20 0.39
SLC6A1 P30531 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRA4 P48169 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
KMT2A Q03164 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
SCHEMBL9442491 1.00 TLR4 (0.43) TLR4ANPEPENPEPMAPTCYP2C9
SCHEMBL9442484 1.00 TLR4 (0.43) TLR4ANPEPENPEPMAPTCYP2C9
Hydrochloric Acid SCHEMBL8732544 0.98 TLR4 (0.42) TLR4ANPEPENPEPMAPTCYP2C9
SCHEMBL939580 0.94 ANPEP (0.44) TLR4ANPEPENPEPMAPTCYP2C9
SCHEMBL939582 0.94 ANPEP (0.44) TLR4ANPEPENPEPMAPTCYP2C9
Hydrochloric Acid SCHEMBL10801164 0.92 ANPEP (0.43) TLR4ANPEPENPEPMAPTCYP2C9
Hydrochloric Acid SCHEMBL10801170 0.92 ANPEP (0.43) TLR4ANPEPENPEPMAPTCYP2C9
SCHEMBL10951008 0.89 MAPT (0.53) ANPEPENPEPMAPTCYP2C9SLC6A1
SCHEMBL10846877 0.89 MAPT (0.53) ANPEPENPEPMAPTCYP2C9SLC6A1
SCHEMBL10951013 0.89 MAPT (0.53) ANPEPENPEPMAPTCYP2C9SLC6A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8388861-B2 Liquid crystal compound and liquid crystal mixture JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2013-03-05 US disclosed
US-8388861-B2 Liquid crystal compound and liquid crystal mixture JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2013-03-05 US disclosed
US-20120132854-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL MIXTURE JIANGSU HECHENG CHEMICAL MATERIALS CO., LTD. (CN) 2012-05-31 US disclosed
US-20120132854-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL MIXTURE JIANGSU HECHENG CHEMICAL MATERIALS CO., LTD. (CN) 2012-05-31 US disclosed
WO-1998033382-A1 FUNGICIDAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 WO disclosed
EP-0834490-A1 COMPOUNDS HAVING ALKYL-SUBSTITUTED ALKENYLENE MOIETY AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1998-04-08 EP disclosed
US-5180519-A Compounds for liquid crystal displays CHISSO CORPORATION (JP) 1993-01-19 US disclosed
US-4911863-A Ferroelectric; mixture of compounds containing aromatic ester THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1990-03-27 US disclosed
EP-0263843-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES. SECR DEFENCE BRIT (GB) 1988-04-20 EP disclosed
EP-0258430-A1 NEMATIC LIQUID CRYSTAL PHASES MERCK PATENT GmbH (DE) 1988-03-09 EP disclosed
WO-1987005316-A1 NEMATIC LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-09-11 WO disclosed
WO-1987005012-A2 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1987-08-27 WO disclosed
EP-0087032-B1 BICYCLOHEXYL DERIVATIVES HAVING LIQUID-CRYSTAL PROPERTIES MERCK PATENT GmbH (DE) 1985-05-08 EP disclosed
EP-0087032-A1 Bicyclohexyl derivatives having liquid-crystal properties MERCK PATENT GmbH (DE) 1983-08-31 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 (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-20120132854-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL MIXTURE CPNE4, LEO1, NCAPD3 TLR4 4138/4885ANPEP 3469/4885ENPEP 4373/4885

“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.