SCHEMBL9002641

SCHEMBL9002641

[C-]#[N+]C(C(=O)OCC(CC)CCCC)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
LMNA P02545 4/20 0.65
MAPK1 P28482 3/20 0.65
CYP3A4 P08684 4/20 0.54
CA2 P00918 1/20 0.54
PRSS1 P07477 2/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
TSHR P16473 3/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36

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
SCHEMBL812883 0.94 ALDH1A1 (0.59) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL813082 0.94 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL813401 0.94 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL813194 0.91 ALDH1A1 (0.63) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL813146 0.89 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL23266883 0.83 ALDH1A1 (0.70) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL13959874 0.81 ALDH1A1 (0.69) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL12168669 0.81 CYP3A4 (0.51) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL4735450 0.81 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1CYP3A4CA2
SCHEMBL28854636 0.79 ALDH1A1 (0.65) ALDH1A1LMNAMAPK1CYP3A4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-07-17 US disclosed
US-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-07-12 US disclosed
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-06-28 US disclosed
US-9994770-B2 Liquid crystal compound having tercyclohexyl, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-06-12 US disclosed
US-9976084-B2 Liquid crystal composition, antioxidant and liquid crystal display device JNC CORPORATION (JP) 2018-05-22 US disclosed
US-20180127652-A1 LIQUID CRYSTAL COMPOUND HAVING BENZOTHIOPHENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-03 US disclosed
US-9951277-B2 Liquid crystal compound having 1,1,3,3-tetrafluoroallyloxy group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-04-24 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed
US-7318951-B2 Retardation film, producing process thereof and liquid crystal display utilizing the same FUJIFILM CORPORATION (JP) 2008-01-15 US disclosed
US-20070292635-A1 Optical Compensation Polarizing Plate, Image Display Unit and Liquid Crystal Display Unit FUJIFILM CORPORATION (JP) 2007-12-20 US disclosed
US-20070285603-A1 Transparent Film And Optical Compensatory Film, Polarizing Plate And Liquid-Crystal Display Device Employing It FUJI PHOTO FILM CO., LTD. (JP) 2007-12-13 US disclosed
US-20070273815-A1 Cellulose acylate film, production method of cellulose acylate film, optically-compensatory film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2007-11-29 US disclosed
US-20070252293-A1 METHOD FOR MANUFACTURING AN OPTICAL FILM HAVING A CONVEXOCONCAVE STRUCTURE, OPTICAL FILM, WIRE GRID POLARIZER AND RETARDATION FILM KONICA MINOLTA OPTO, INC. (JP) 2007-11-01 US disclosed
US-20070092663-A1 Cellulose ester film, polarizing plate and display KONICA MINOLTA OPTO, INC. 2007-04-26 US disclosed
US-20070076155-A1 Optical film, optical compensation film, polarizing plate and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 2007-04-05 US disclosed
US-20070059458-A1 Cellulose acylate film, optically compensatory film, polarizing plate and liquid crystal display FUJI PHOTO FILM CO., LTD. (JP) 2007-03-15 US disclosed
US-20070048458-A1 Optical film, method of producing the same, optical compensatory film, polarizing film, and liquid crystal display device FUJI PHOTO FILM CO., LTD. (JP) 2007-03-01 US disclosed
US-20070040962-A1 Optical resin film and polarizing plate and liquid crystal display using same FUJI PHOTO FILM CO., LTD. (JP) 2007-02-22 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 (5 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-20180195005-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, MBD2, PAXBP1 ALDH1A1 3826/4885LMNA 1840/4885MAPK1 307/4885
US-20180119009-A1 LIQUID CRYSTAL COMPOUND HAVING BIPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX1, PIEZO1, C1S ALDH1A1 1182/4885LMNA 1024/4885MAPK1 1115/4885
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 ALDH1A1 47/4885LMNA 1907/4885MAPK1 505/4885
US-10023799-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device PIEZO1, ROCK1, RCC1 ALDH1A1 2496/4885LMNA 2467/4885MAPK1 212/4885
US-20180179443-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE C1S, CCND1, C5 ALDH1A1 2615/4885LMNA 839/4885MAPK1 676/4885

“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.