SCHEMBL11894580

SCHEMBL11894580

CCOc1ccc(CC=O)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
KDM1A O60341 2/20 0.33

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
SCHEMBL29989116 1.00 CTSS (0.40) CTSSCTSKCTSLALDH1A1L3MBTL1
SCHEMBL9979091 0.94 CTSS (0.49) CTSSCTSKCTSLALDH1A1L3MBTL1
SCHEMBL15330024 0.84 CTSL (0.33) CTSSCTSKCTSLALDH1A1L3MBTL1
SCHEMBL2544154 0.83 CTSS (0.45) CTSSCTSKCTSLALDH1A1L3MBTL1
SCHEMBL10383011 0.83 L3MBTL1 (0.46) ALDH1A1L3MBTL1MAPTNPSR1MAPK1
SCHEMBL18734056 0.80 NAAA (0.39) CTSSCTSKCTSLFGFR2
SCHEMBL17423613 0.79 MAPK1 (0.43) ALDH1A1L3MBTL1MAPTNPSR1MAPK1
SCHEMBL9927547 0.79 SRC (0.36) CTSSCTSKCTSLALDH1A1L3MBTL1
SCHEMBL14362901 0.79 PKM (0.34) ALDH1A1L3MBTL1MAPTLMNACYP1A2
SCHEMBL17423620 0.79 MAPK1 (0.40) CTSSCTSKCTSLALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109370609-B Liquid crystal composition for VA-LCD (vertical alignment-liquid Crystal display) with low threshold, low power consumption, low viscosity and quick response 河北迈尔斯通电子材料有限公司 2022-10-11 CN disclosed
CN-107298980-B Negative liquid crystal compound and preparation method thereof 河北迈尔斯通电子材料有限公司 2020-09-22 CN disclosed
CN-107779203-B Liquid crystal composition with low threshold and low power consumption for VA-LCD 河北迈尔斯通电子材料有限公司 2020-02-21 CN disclosed
US-9790427-B2 Liquid crystal compound having a 3,6-dihydro-2H-pyran ring, negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-10-17 US disclosed
US-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-08-11 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8580146-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-08-02 US disclosed
US-7291368-B2 Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2007-11-06 US disclosed
US-7291368-B2 Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2007-11-06 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-20160230094-A1 LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, ZKSCAN2, ZRANB2 CTSS 4026/4885CTSK 3931/4885CTSL 3930/4885
US-20120193577-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 CTSS 2841/4885CTSK 1918/4885CTSL 4048/4885

“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.