SCHEMBL5597598

SCHEMBL5597598

CCCCCCCC[C@H](F)CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
MAPT P10636 2/20 0.50
CYP2D6 P10635 2/20 0.48
SPHK1 Q9NYA1 2/20 0.48
GMNN O75496 1/20 0.48
POLB P06746 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
BLM P54132 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CETP P11597 1/20 0.48
HTT P42858 1/20 0.48
UBE2N P61088 1/20 0.48
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL50680 1.00 LMNA (0.58) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL9238877 1.00 LMNA (0.58) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL8379294 1.00 LMNA (0.58) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL9243487 1.00 LMNA (0.58) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL6974536 1.00 LMNA (0.58) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL5597787 1.00 LMNA (0.58) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL9242608 1.00 LMNA (0.58) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL9240412 1.00 LMNA (0.58) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL8580154 1.00 LMNA (0.58) LMNAMAPTCYP2D6SPHK1GMNN
SCHEMBL7461382 1.00 LMNA (0.58) LMNAMAPTCYP2D6SPHK1GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265249-B2 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-09-04 US disclosed
US-20060189830-A1 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-08-24 US disclosed
EP-1028944-B1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2006-01-11 EP disclosed
US-6616989-B1 A switching and/or display device CLARIANT INTERNATIONAL LTD. (CH) 2003-09-09 US disclosed
US-6491989-B1 6,7-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,1,6,7-TETRAFLUORO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES, 1,6,7-TRIFLUORONAPHTHALENE DERIVATIVES AND 2,3-DIFLUORONAPHTHALENE DERIVATIVES AVENTIS RESEACH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-12-10 US disclosed
EP-0883618-B1 DIFLUOROPHENYL PYRIMIDYL PYRIDINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2001-05-16 EP disclosed
EP-1028944-A1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES Aventis Research & Technologies GmbH & Co. KG (DE) 2000-08-23 EP disclosed
US-6022492-A FOR FERROELECTRIC SWITCHING AND/OR DISPLAY DEVICE HOESCHT RESEARCH & TECHNOLOGY DEUTCHLAND GMBH & CO. (DE) 2000-02-08 US disclosed
WO-1999023074-A1 FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-05-14 WO disclosed
EP-0883618-A1 DIFLUOROPHENYL PYRIMIDYL PYRIDINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) 1998-12-16 EP disclosed
EP-0736078-B1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING & MFG (US) 1998-06-24 EP disclosed
US-5730902-A Optically active silacyclohexane compounds, liquid crystal compositions comprising the same and liquid crystal display devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-24 US disclosed
WO-1997024351-A1 DIFLUOROPHENYL PYRIMIDYL PYRIDINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTAL MIXTURES HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO.KG (DE) 1997-07-10 WO disclosed
EP-0761674-A1 Optically active silacyclohexane compounds, liquid crystal compositions comprising the same and liquid crystal display devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-03-12 EP disclosed
EP-0736078-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-09 EP disclosed
US-5474705-A Electrooptical displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed
WO-1995017481-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-29 WO disclosed
US-4988460-A HYDROGEN BONDED ADDITION POLYMERS, POLYCARBONATES, POLYESTERS, OR POLYAMIDES, AROMATIC ESTER DERIVATIVES AS LIQUID CRYSTALS IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-01-29 US disclosed
EP-0310081-A2 A ferroelectric liquid-crystalline polymeric composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1989-04-05 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-20060189830-A1 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts ALDH3A1, ALDH1A1, POLL LMNA 1309/4885MAPT 3645/4885CYP2D6 3464/4885

“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.