SCHEMBL17827780

SCHEMBL17827780

CCOc1ccc(C2CCC(C3CC3)CC2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.33
FPR2 P25090 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HCRTR2 O43614 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1A P08908 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
HTR2A P28223 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
HTR2C P28335 2/20 0.32

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
SCHEMBL26209540 1.00 KDM1A (0.38) KDM1AL3MBTL1FPR2ALDH1A1HCRTR2
SCHEMBL26209563 1.00 KDM1A (0.38) KDM1AL3MBTL1FPR2ALDH1A1HCRTR2
SCHEMBL17827785 1.00 KDM1A (0.38) KDM1AL3MBTL1FPR2ALDH1A1HCRTR2
SCHEMBL16768993 0.95 KDM1A (0.35) KDM1AALDH1A1CYP1A2CYP2C19HTR2A
SCHEMBL25929345 0.95 CAMKK1 (0.36) KDM1AALDH1A1HTR2ALMNAHPGD
SCHEMBL16768995 0.95 CAMKK1 (0.36) KDM1AALDH1A1HTR2ALMNAHPGD
SCHEMBL16385754 0.95 KDM1A (0.38) KDM1AL3MBTL1FPR2ALDH1A1HCRTR2
SCHEMBL26209548 0.95 CAMKK1 (0.36) KDM1AALDH1A1HTR2ALMNAHPGD
SCHEMBL25929309 0.95 KDM1A (0.35) KDM1AALDH1A1CYP1A2CYP2C19HTR2A
SCHEMBL14922531 0.95 KDM1A (0.41) KDM1AL3MBTL1FPR2ALDH1A1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400561-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-07-17 EP disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
EP-4306615-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2024-01-17 EP disclosed
US-20230383186-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-20230383186-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
EP-4273207-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-11-08 EP disclosed
EP-4261267-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-10-18 EP disclosed
EP-4261268-A1 LIQUID CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-10-18 EP disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-20230272282-A1 LC MIXTURES WITH NEGATIVE DELTA EPSILONCONTAINING CC-4-V1 AND COB(S)-N-OM MERCK PATENT GMBH (DE) 2023-08-31 US disclosed
WO-2022106387-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2022-05-27 WO disclosed
US-9404038-B2 Cyclopropyl-bearing liquid crystal compounds and mixtures SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-02 US disclosed
US-9404038-B2 Cyclopropyl-bearing liquid crystal compounds and mixtures SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-02 US disclosed
US-20160168461-A1 CYCLOPROPYL-BEARING LIQUID CRYSTAL COMPOUNDS AND MIXTURES SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-06-16 US disclosed
US-20160168461-A1 CYCLOPROPYL-BEARING LIQUID CRYSTAL COMPOUNDS AND MIXTURES SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-06-16 US disclosed