SCHEMBL4861791

SCHEMBL4861791

CCCC1CCC(c2cc(F)c(C(=O)O)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.50
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ESR2 Q92731 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ OPRL1 P41146 4/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HCAR2 Q8TDS4 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
SCHEMBL4861782 1.00 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8734077 0.96 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8734075 0.96 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8734072 0.96 CYP2C9 (0.47) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL8635813 0.90 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL5244532 0.90 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10931919 0.88 CYP2C9 (0.50) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10927809 0.87 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10927798 0.87 CYP2C9 (0.49) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10933910 0.86 CYP2C9 (0.48) CYP2C9MAPTALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299334-B1 CHIRAL COMPOUNDS I MERCK PATENT GMBH (DE) 2008-01-16 — — EP disclosed
US-7316830-B2 Phenyl fluorobenzoate (p-fluorophenyl 4-(trans-4-propylcyclohexyl)-2,6-difluorobenzoate) and a bicyclohexyl compound (4,4'-vinylbicyclohexyl); very high resistivity at the same time as a broad operating temperature range, short response times, even at low temperatures, and a low threshold voltage MERCK PATENT GMBH (DE) 2008-01-08 — — US disclosed
US-7316830-B2 Phenyl fluorobenzoate (p-fluorophenyl 4-(trans-4-propylcyclohexyl)-2,6-difluorobenzoate) and a bicyclohexyl compound (4,4'-vinylbicyclohexyl); very high resistivity at the same time as a broad operating temperature range, short response times, even at low temperatures, and a low threshold voltage MERCK PATENT GMBH (DE) 2008-01-08 — — US disclosed
US-7316830-B2 Phenyl fluorobenzoate (p-fluorophenyl 4-(trans-4-propylcyclohexyl)-2,6-difluorobenzoate) and a bicyclohexyl compound (4,4'-vinylbicyclohexyl); very high resistivity at the same time as a broad operating temperature range, short response times, even at low temperatures, and a low threshold voltage MERCK PATENT GMBH (DE) 2008-01-08 — — US disclosed
US-7179511-B2 For use in electro-optical displays MERCK PATENT GMBH (DE) 2007-02-20 — — US disclosed
US-7179511-B2 For use in electro-optical displays MERCK PATENT GMBH (DE) 2007-02-20 — — US disclosed
US-7179511-B2 For use in electro-optical displays MERCK PATENT GMBH (DE) 2007-02-20 — — US disclosed
US-20060284139-A1 Phenyl fluorobenzoate (p-fluorophenyl 4-(trans-4-propylcyclohexyl)-2,6-difluorobenzoate) and a bicyclohexyl compound (4,4'-vinylbicyclohexyl); very high resistivity at the same time as a broad operating temperature range, short response times, even at low temperatures, and a low threshold voltage REIFFENRATH VOLKER 2006-12-21 — — US disclosed
US-20050205843-A1 For use in electro-optical displays REIFFENRATH VOLKER 2005-09-22 — — 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-20050205843-A1 For use in electro-optical displays CHRM1, EFNA1, CHRM2 CYP2C9 2838/4885MAPT 2030/4885ALDH1A1 175/4885

“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.

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