SCHEMBL5099663

SCHEMBL5099663

Oc1ccc(-c2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.62
ESR2 Q92731 7/20 0.59
ABL1 P00519 3/20 0.56
ABCB1 P08183 3/20 0.56
BCR P11274 3/20 0.56
KIF11 P52732 2/20 0.55
ANPEP P15144 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALOX5 P09917 1/20 0.46
MMP3 P08254 1/20 0.46
BCL2L1 Q07817 1/20 0.46
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45

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
SCHEMBL9280477 1.00 ESR1 (0.62) ESR1ESR2ABL1ABCB1BCR
SCHEMBL17108385 0.87 ANPEP (0.42) ESR1ESR2KIF11ANPEPHSD17B1
SCHEMBL13104729 0.85 ESR1 (0.67) ESR1ESR2ABL1ABCB1BCR
SCHEMBL1254675 0.85 ESR1 (0.52) ESR1ESR2KIF11MEN1KMT2A
SCHEMBL18388215 0.85 ESR1 (0.52) ESR1ESR2KIF11MEN1KMT2A
Phenol SCHEMBL27463236 0.84 MMP3 (0.52) ESR1ESR2ABL1ABCB1BCR
SCHEMBL20821889 0.83 ESR1 (0.55) ESR1ESR2KIF11MEN1KMT2A
SCHEMBL13628948 0.83 ESR2 (0.52) ESR1ESR2ABL1ABCB1BCR
SCHEMBL13105050 0.81 ESR1 (0.56) ESR1ESR2ABL1ABCB1BCR
SCHEMBL1630267 0.81 ESR1 (0.79) ESR1ESR2ABL1ABCB1BCR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193063-B2 Compound, liquid crystal composition and photoelectric display device thereof JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2021-12-07 US disclosed
US-20210179940-A1 WIDE TEMPERATURE RANGE AND HIGH PHOTOCHEMICAL STABILITY SMECTIC LIQUID CRYSTAL COMPOSITIONS WITH A MONOLAYER SMECTIC A PHASE (SMA1), METHOD OF OBTAINING THEREOF AND DEVICES UTILIZING THEREOF WOJSKOWA AKADEMIA TECHNICZNA (PL) 2021-06-17 US disclosed
US-20200255738-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND PHOTOELECTRIC DISPLAY DEVICE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2020-08-13 US disclosed
CN-110981699-A Improvement of synthesis process of 3,4, 5-trifluorophenol 蚌埠中实化学技术有限公司 2020-04-10 CN disclosed
CN-110563764-A electrolyte flame-retardant additive and preparation method and application thereof 恒大新能源科技集团有限公司 2019-12-13 CN disclosed
CN-103328516-B Activated carrier 英尼奥斯欧洲股份公司 2019-06-28 CN disclosed
US-20120313041-A1 FOUR-RING COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-12-13 US disclosed
US-20120313041-A1 FOUR-RING COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-12-13 US disclosed
US-7314943-B2 Pyran derivatives containing an exocyclic double bond MERCK PATENT GMBH (DE) 2008-01-01 US disclosed
US-7314943-B2 Pyran derivatives containing an exocyclic double bond MERCK PATENT GMBH (DE) 2008-01-01 US disclosed
US-20050038267-A1 Pyran derivatives containing an exocyclic double bond MERCK PATENT GMBH (DE) 2005-02-17 US disclosed
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
EP-0786509-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-09-12 EP disclosed
EP-0786508-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-01-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
US-5792386-A A MIXTURE OF ALKYLCYCLOHEXYL(PHENYLENE)DIFLUROMETHOXY-BENZENES AND FLUORO-CONTAINING COMPOUNDS; LOW VISCOSITY; LOW TEMPERATURE MISCIBILITY; HEAT AND CHEMICAL RESISTANCE; ACTIVE MATRIX CHISSO CORPORATION (JP) 1998-08-11 US disclosed
US-5728319-A Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 1998-03-17 US disclosed
EP-0786509-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP 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 (4 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-11193063-B2 Compound, liquid crystal composition and photoelectric display device thereof FES, LMTK3, LMTK2 ESR1 1108/4885ESR2 3378/4885ABL1 342/4885
US-20050038267-A1 Pyran derivatives containing an exocyclic double bond EXOC1, EDF1, EIF4A1 ESR1 1711/4885ESR2 300/4885ABL1 2880/4885
US-20200255738-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND PHOTOELECTRIC DISPLAY DEVICE THEREOF FES, LMTK3, LMTK2 ESR1 1108/4885ESR2 3378/4885ABL1 342/4885
US-20120313041-A1 FOUR-RING COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD2, OCIAD1, POU2F2 ESR1 2638/4885ESR2 1984/4885ABL1 2757/4885

“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.