SCHEMBL7100273

SCHEMBL7100273

Cc1ccc(OC(=O)C2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.72
HTT P42858 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
POLB P06746 2/20 0.62
ELANE P08246 2/20 0.62
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.51
GLA P06280 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.50
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
ENPP2 Q13822 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL10291941 0.98 KMT2A (0.75) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL26038796 0.95 KMT2A (0.66) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL8319948 0.95 KMT2A (0.81) KMT2AHTTSMN1; SMN2TDP1POLB
Cyclohexane Carboxamide SCHEMBL21771917 0.92 KMT2A (0.62) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL24605352 0.91 KMT2A (0.68) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL12370833 0.91 KMT2A (0.68) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL27947111 0.91 KMT2A (0.68) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL2741099 0.91 KMT2A (0.68) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL10574401 0.91 KMT2A (0.88) KMT2AHTTSMN1; SMN2TDP1POLB
SCHEMBL21185911 0.86 HTT (0.61) KMT2AHTTSMN1; SMN2TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9500790-B2 Optical film, circularly polarizing plate, and image display device Konica Minolta, Inc. (JP) 2016-11-22 US disclosed
US-9309463-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-04-12 US disclosed
US-20150247963-A1 OPTICAL FILM, CIRCULARLY POLARIZING PLATE, AND IMAGE DISPLAY DEVICE Konica Minolta, Inc. (JP) 2015-09-03 US disclosed
US-8956552-B2 Cyclohexene-3,6-diyl compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-02-17 US disclosed
US-8846164-B2 Compound having propyl ether as bonding group, liquid crystal composition thereof and liquid crystal display device thereof JNC CORPORATION (JP) 2014-09-30 US disclosed
US-20140077131-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-03-20 US disclosed
CN-103562198-A Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMA SPA 2014-02-05 CN disclosed
US-20130277612-A1 CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION 2013-10-24 US disclosed
US-20130126783-A1 COMPOUND HAVING PROPYL ETHER AS BONDING GROUP, LIQUID CRYSTAL COMPOSITION THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JNC PETROCHEMICAL CORPORATION (JP) 2013-05-23 US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 US disclosed
CN-100448824-C Decahydronaphthalene derivatives DAINIPPON INK & CHEMICALS (JP) 2009-01-07 CN disclosed
EP-1013177-B1 A game-type flavouring agent. NESTLE SA (CH) 2003-09-03 EP disclosed
US-6592924-B2 Combination of an alkylphenol and cyclohexanecarboxylic acid or an alkyl-substituted derivative NESTEC S.A. (CH) 2003-07-15 US disclosed
CN-1321141-A Decahydronaphthalene derivatives DAINIPPON INK & CHEMICALS (JP) 2001-11-07 CN disclosed
EP-1013177-A1 A game-type flavouring agent. SOCIETE DES PRODUITS NESTLE S.A. (CH) 2000-06-28 EP disclosed
CN-1140194-A Liquid crystalline compound having branched alkyl group at its side chain and liquid crystal composition containing the same CHISSO CORP (JP) 1997-01-15 CN disclosed
US-4098817-A OXIDATION OF CYCLOALIPHATIC COMPOUNDS PETRO-TEX CHEMICAL CORPORATION (US) 1978-07-04 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 KMT2A 2912/4885HTT 3148/4885SMN1; SMN2 4683/4885
US-20150247963-A1 OPTICAL FILM, CIRCULARLY POLARIZING PLATE, AND IMAGE DISPLAY DEVICE SUN2, HTR3D, CRY1 KMT2A 907/4885HTT 1189/4885SMN1; SMN2 1468/4885

“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.