SCHEMBL91873

SCHEMBL91873

CCC(C)COc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.57
MMP3 P08254 4/20 0.57
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 3/20 0.46
FFAR1 O14842 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 6/20 0.43
HRH2 P25021 4/20 0.43
HRH1 P35367 4/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 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
SCHEMBL21386579 1.00 MMP2 (0.57) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL9146899 1.00 MMP2 (0.57) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL18979622 0.95 MMP2 (0.50) MMP2MMP3ALDH1A1HPGDFFAR1
SCHEMBL13384911 0.90 MMP2 (0.49) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL10705801 0.88 FFAR1 (0.53) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL10705795 0.88 FFAR1 (0.53) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL14601374 0.87 ALDH1A1 (0.57) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL13384899 0.87 MMP2 (0.55) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL13384909 0.87 MMP2 (0.55) MMP2MMP3ALDH1A1HPGDKDM4E
SCHEMBL3274920 0.85 MMP2 (0.59) MMP2MMP3ALDH1A1HPGDKDM4E

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 1188 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4395350-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1983-07-26 US claimed
EP-0043904-A2 Mixtures containing a dyestuff, dyestuffs and their use in liquid crystal mixtures F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-01-20 EP claimed
US-11739267-B2 LC medium MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-20230159825-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-05-25 US disclosed
US-11299675-B2 Polymerizable polar compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2022-04-12 US disclosed
US-11193066-B2 Polymerizable compound and composition, liquid crystal composite, optical anisotropic body, liquid crystal display device and use thereof JNC CORPORATION (JP) 2021-12-07 US disclosed
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 US disclosed
US-10975305-B2 Piperidine derivative, liquid crystal composition, and liquid crystal display element JNC CORPORATION (JP) 2021-04-13 US disclosed
US-20210071080-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2021-03-11 US disclosed
US-10865344-B2 Low molecular weight polar compound for homogeneously aligning liquid crystal medium, and liquid crystal medium containing same JNC CORPORATION (JP) 2020-12-15 US disclosed
US-10787608-B2 Liquid crystal display device including liquid crystal medium containing low molecular weight polar compound for homogeneously aligning liquid crystal medium JNC CORPORATION (JP) 2020-09-29 US disclosed
WO-1989009426-A1 LIQUID CRYSTAL COLOUR DISPLAYS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1989-10-05 WO disclosed
US-4844836-A LIQUID CRYSTALS ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1989-07-04 US disclosed
US-4721367-A AROMATIC ESTERS OF PYRAZINE CANON KABUSHIKI KAISHA (JP) 1988-01-26 US disclosed
US-4659499-A Liquid crystal materials CRYSTALOID ELECTRONICS COMPANY (US) 1987-04-21 US disclosed
US-4602850-A Light valve display having integrated driving circuits and shield electrode VIDIUM, INC. (US) 1986-07-29 US disclosed
EP-0175591-A2 Lactic acid derivative, liquid crystal composition containing same and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1986-03-26 EP disclosed
EP-0065869-B1 LIQUID CRYSTALLINE MATERIALS INCORPORATING DICHROIC DYE AND OPTICAL DISPLAYS UTILIZING SAME Crystaloid Electronics Company (US) 1984-07-25 EP disclosed
US-4395350-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1983-07-26 US disclosed
EP-0043904-A2 Mixtures containing a dyestuff, dyestuffs and their use in liquid crystal mixtures F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-01-20 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 (3 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-11193066-B2 Polymerizable compound and composition, liquid crystal composite, optical anisotropic body, liquid crystal display device and use thereof OCIAD2, PYM1, C1S MMP2 3099/4885MMP3 3857/4885ALDH1A1 4091/4885
US-10787608-B2 Liquid crystal display device including liquid crystal medium containing low molecular weight polar compound for homogeneously aligning liquid crystal medium ACP1, MAPK1, PLD1 MMP2 722/4885MMP3 817/4885ALDH1A1 4001/4885
US-10865344-B2 Low molecular weight polar compound for homogeneously aligning liquid crystal medium, and liquid crystal medium containing same ACP1, MFAP1, PHOSPHO1 MMP2 731/4885MMP3 538/4885ALDH1A1 4483/4885

“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.