SCHEMBL113045

SCHEMBL113045

C=CC(=O)OCCCCNC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.67
ALDH1A1 P00352 4/20 0.67
CYP3A4 P08684 2/20 0.67
HPGD P15428 1/20 0.60
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 2/20 0.42
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 3/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.36
ACHE P22303 4/20 0.35

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
SCHEMBL109052 0.98 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL19333937 0.98 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL28852507 0.96 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL110329 0.94 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL6053427 0.92 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Trimethylammonium SCHEMBL27992106 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL110438 0.86
Hydrochloric Acid SCHEMBL6053149 0.84 TSHR (0.54) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL244114 0.83 TSHR (0.95) TSHRALDH1A1CYP3A4HPGDTP53
Sulfuric Acid SCHEMBL31207724 0.83 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4129610-A VINYL COPOLYMER, EPOXY RESIN HITACHI CHEMICAL CO., LTD. 1978-12-12 US claimed
US-11667842-B2 Laminate, organic electroluminescent device, and liquid crystal display device FUJIFILM CORPORATION (JP) 2023-06-06 US disclosed
US-11667842-B2 Laminate, organic electroluminescent device, and liquid crystal display device FUJIFILM CORPORATION (JP) 2023-06-06 US disclosed
US-20230135489-A1 FLUORINE-CONTAINING COPOLYMER, COMPOSITION, OPTICAL FILM, LIQUID CRYSTAL FILM, HARDCOAT FILM, AND POLARIZING PLATE FUJIFILM CORPORATION (JP) 2023-05-04 US disclosed
US-20230135489-A1 FLUORINE-CONTAINING COPOLYMER, COMPOSITION, OPTICAL FILM, LIQUID CRYSTAL FILM, HARDCOAT FILM, AND POLARIZING PLATE FUJIFILM CORPORATION (JP) 2023-05-04 US disclosed
US-11332669-B2 Polymerizable liquid crystal composition, optically anisotropic film, optical film, polarizing plate, image display device, and organic electroluminescent display device FUJIFILM CORPORATION (JP) 2022-05-17 US disclosed
US-20220119688-A1 LAMINATE, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2022-04-21 US disclosed
US-11230669-B2 Liquid crystal film, optical laminate, circularly polarizing plate, and organic electroluminescent display device FUJIFILM CORPORATION (JP) 2022-01-25 US disclosed
US-11225605-B2 Polymerizable liquid crystal compound, method for producing polymerizable liquid crystal compound, polymerizable liquid crystal composition, optically anisotropic film, optical film, polarizing plate, and image display device FUJIFILM CORPORATION (JP) 2022-01-18 US disclosed
US-11193064-B2 Phase difference plate for organic EL display device, organic EL display device, and method for producing phase difference plate FUJIFILM CORPORATION (JP) 2021-12-07 US disclosed
US-20100157204-A1 OPTICALLY ANISOTROPIC FILM AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-06-24 US disclosed
US-20100157204-A1 OPTICALLY ANISOTROPIC FILM AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2010-06-24 US disclosed
US-20100045901-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2010-02-25 US disclosed
US-20100045901-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND FUJIFILM CORPORATION (JP) 2010-02-25 US disclosed
US-20090268143-A1 VERTICAL ALIGNMENT FILM AND VA MODE LIQUID CRYSTAL CELL FUJIFILM CORPORATION (JP) 2009-10-29 US disclosed
US-20090268143-A1 VERTICAL ALIGNMENT FILM AND VA MODE LIQUID CRYSTAL CELL FUJIFILM CORPORATION (JP) 2009-10-29 US disclosed
US-20090040433-A1 LIQUID CRYSTAL DISPLAY DEVICE AND COLOR FILM PLATE, AND PROCESSES FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2009-02-12 US disclosed
EP-1846046-A2 ABSORBENT STRUCTURE WITH IMPROVED WATER-ABSORBING MATERIAL The Procter and Gamble Company (US) 2007-10-24 EP disclosed
WO-2006083585-A2 ABSORBENT STRUCTURE WITH IMPROVED WATER-ABSORBING MATERIAL THE PROCTER & GAMBLE COMPANY (US) 2006-08-10 WO disclosed
US-4129610-A VINYL COPOLYMER, EPOXY RESIN HITACHI CHEMICAL CO., LTD. 1978-12-12 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-11332669-B2 Polymerizable liquid crystal composition, optically anisotropic film, optical film, polarizing plate, image display device, and organic electroluminescent display device OCIAD2, OCIAD1, CCND2 TSHR 4144/4885ALDH1A1 1315/4885CYP3A4 1071/4885
US-20100045901-A1 OPTICAL FILM AND RETARDATION SHEET, AND LIQUID CRYSTAL COMPOUND C1R, CCNA1, C5 TSHR 729/4885ALDH1A1 3648/4885CYP3A4 3523/4885

“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.