SCHEMBL21567656

SCHEMBL21567656

CCOc1ccc(-c2ccc(C3CCC(CC4CC4)CC3)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
FPR2 P25090 3/20 0.36
ESR2 Q92731 7/20 0.35
ESR1 P03372 6/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 2/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
PTPRC P08575 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL26209578 1.00 KDM1A (0.37) KDM1AFPR2ESR2ESR1CYP2C9
SCHEMBL26455653 0.92 ESR2 (0.39) KDM1AFPR2ESR2ESR1CYP2C9
SCHEMBL4402648 0.92 KDM1A (0.37) KDM1AFPR2ESR2ESR1CYP2C9
SCHEMBL17715213 0.92 KDM1A (0.37) KDM1AFPR2ESR2ESR1CYP2C9
SCHEMBL29432462 0.90 CYP2C9 (0.44) KDM1AFPR2ESR2ESR1CYP2C9
SCHEMBL2604710 0.90 CYP2C9 (0.44) KDM1AFPR2ESR2ESR1CYP2C9
SCHEMBL26209573 0.90 CYP2C9 (0.44) KDM1AFPR2ESR2ESR1CYP2C9
SCHEMBL4402617 0.90 CYP2C9 (0.44) KDM1AFPR2ESR2ESR1CYP2C9
SCHEMBL17827784 0.89 KDM1A (0.39) KDM1AFPR2CYP2C9CYP3A4GRIN1
SCHEMBL26209577 0.89 KDM1A (0.39) KDM1AFPR2CYP2C9CYP3A4GRIN1

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 17 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
US-11046888-B2 Difluoromethoxy-bridge liquid crystal compound containing methyl-substituted 2,3-difluorophenyl and crystal composition SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-06-29 US disclosed
US-10519377-B1 Liquid crystal composition of negative monomer containing cyclopentyl cyclohexenyl and liquid crystal display element or liquid crystal display thereof Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) 2019-12-31 US disclosed
US-20190345388-A1 DIFLUOROMETHOXY-BRIDGE LIQUID CRYSTAL COMPOUND CONTAINING METHYL-SUBSTITUTED 2,3-DIFLUOROPHENYL AND CRYSTAL COMPOSITION SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2019-11-14 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-20190345388-A1 DIFLUOROMETHOXY-BRIDGE LIQUID CRYSTAL COMPOUND CONTAINING METHYL-SUBSTITUTED 2,3-DIFLUOROPHENYL AND CRYSTAL COMPOSITION CCDC22, YTHDC1, DLK1 KDM1A 438/4885FPR2 1367/4885ESR2 2725/4885
US-11046888-B2 Difluoromethoxy-bridge liquid crystal compound containing methyl-substituted 2,3-difluorophenyl and crystal composition CCDC22, YTHDC1, DLK1 KDM1A 438/4885FPR2 1367/4885ESR2 2725/4885

“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.