SCHEMBL16769035

SCHEMBL16769035

CCOc1ccc(-c2ccc(C3CCCC3)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
APP P05067 1/20 0.41
KDM1A O60341 2/20 0.40
FPR2 P25090 3/20 0.38
S1PR1 P21453 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
PTPRC P08575 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
CAMKK1 Q8N5S9 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
DGAT1 O75907 1/20 0.34

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
SCHEMBL15681366 0.99 CYP3A4 (0.43) CYP3A4CYP2C9APPKDM1AFPR2
SCHEMBL16769036 0.97 KDM1A (0.40) CYP3A4CYP2C9APPKDM1AFPR2
SCHEMBL26209581 0.92 KDM1A (0.36) CYP3A4CYP2C9APPKDM1AFPR2
SCHEMBL21609914 0.92 KDM1A (0.36) CYP3A4CYP2C9APPKDM1AFPR2
SCHEMBL26209577 0.90 KDM1A (0.39) CYP3A4CYP2C9APPKDM1AFPR2
SCHEMBL17827784 0.90 KDM1A (0.39) CYP3A4CYP2C9APPKDM1AFPR2
SCHEMBL9019618 0.90 CYP3A4 (0.46) CYP3A4CYP2C9APPKDM1AFPR2
SCHEMBL10052063 0.89 ESR2 (0.41) CYP3A4CYP2C9APPKDM1AFPR2
SCHEMBL28559153 0.89 ESR2 (0.41) CYP3A4CYP2C9APPKDM1AFPR2
SCHEMBL9291266 0.89 KDM1A (0.38) CYP3A4CYP2C9APPKDM1AFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339396-B1 LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL COMPOSITION INCLUDED THEREIN SAMSUNG DISPLAY CO LTD (KR) 2019-10-16 EP disclosed
EP-3339396-A1 LIQUID CRYSTAL DISPLAY DEVICE AND LIQUID CRYSTAL COMPOSITION INCLUDED THEREIN Samsung Display Co., Ltd. (KR) 2018-06-27 EP disclosed
US-20180171230-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTAL COMPOSITION INCLUDED THEREIN SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-21 US disclosed
US-20180171230-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTAL COMPOSITION INCLUDED THEREIN SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-21 US disclosed
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-06-04 US disclosed
US-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-06-04 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 (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-20150152330-A1 Negative Dielectric Anisotropic Liquid Crystal Compounds Containing 2,3-Difluorophenyl Group, and Preparation Method and Use Thereof CTNND1, YWHAZ, DVL1 CYP3A4 2750/4885CYP2C9 1546/4885APP 154/4885

“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.