SCHEMBL9419258

SCHEMBL9419258

CCCCCC1CC=C(c2ccc(OCC)c(F)c2F)CC1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.31
CDK9 P50750 3/20 0.31
PDE5A O76074 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
NLRP3 Q96P20 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL8932703 0.96 ESR2 (0.34) PDE5AHDAC1HDAC6NPC1CASP3
SCHEMBL12511730 0.96
SCHEMBL8938968 0.94 ESR2 (0.34) PDE5AHDAC1HDAC6NPC1CASP3
SCHEMBL9419271 0.94 CCNT1 (0.30) CCNT1CDK9
SCHEMBL9419276 0.93 HTR2C (0.32) CCNT1CDK9
SCHEMBL9419268 0.93 THRA (0.31) CCNT1CDK9
SCHEMBL13378230 0.91 NPC1 (0.34) CCNT1CDK9PDE5AHDAC1HDAC6
SCHEMBL31722819 0.91 NPC1 (0.34) CCNT1CDK9PDE5AHDAC1HDAC6
SCHEMBL2889948 0.91 ESR1 (0.33) CCNT1CDK9
SCHEMBL13378154 0.91 CCNT1 (0.31) CCNT1CDK9

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
US-20230167362-A1 NEGATIVE LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT OR LIQUID CRYSTAL DISPLAY SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MAT CO ITD (CN) 2023-06-01 US disclosed
US-10647919-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2020-05-12 US disclosed
US-20180030348-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed
US-20180030348-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed
US-20180016500-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-18 US disclosed
US-20180016500-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-18 US disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 EP disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 US disclosed