SCHEMBL714257

SCHEMBL714257

CCCc1ccc(-c2cc(F)cc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.53
CYP21A2 P08686 1/20 0.53
CYP11B1 P15538 1/20 0.53
TAAR1 Q96RJ0 2/20 0.46
MCL1 Q07820 1/20 0.45
MAOB P27338 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
RARB P10826 2/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NISCH Q9Y2I1 1/20 0.40

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
SCHEMBL8990727 0.90 CYP17A1 (0.56) CYP17A1CYP21A2CYP11B1TAAR1MCL1
SCHEMBL756686 0.87 CYP17A1 (0.46) CYP17A1CYP21A2CYP11B1TAAR1MCL1
SCHEMBL2786810 0.86 RARB (0.55) CYP17A1CYP21A2CYP11B1MAPTLPL
SCHEMBL3153225 0.86 CYP17A1 (0.45) CYP17A1CYP21A2CYP11B1TAAR1MCL1
SCHEMBL19400460 0.85 RARB (0.57) CYP17A1CYP21A2CYP11B1RAB9AMAPT
SCHEMBL7552100 0.85 MAOB (0.59) TAAR1MCL1MAOBNPC1RAB9A
SCHEMBL502975 0.84 TAAR1 (0.45) CYP17A1CYP21A2CYP11B1TAAR1MCL1
SCHEMBL3162709 0.83 HRH3 (0.43) CYP17A1CYP21A2CYP11B1TAAR1MCL1
SCHEMBL13033564 0.83 CYP17A1 (0.40) CYP17A1CYP21A2CYP11B1TAAR1MCL1
SCHEMBL8990730 0.83 MAOB (0.57) CYP17A1CYP21A2CYP11B1TAAR1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4279565-A2 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2023-11-22 EP disclosed
EP-4279565-A2 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2023-11-22 EP disclosed
EP-3763802-B1 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
CN-110790641-B Method for producing compound having oxydifluoromethylene skeleton 大金工业株式会社 2023-02-28 CN disclosed
US-11168255-B2 Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-11-09 US disclosed
US-11168255-B2 Thiophene compound, liquid-crystalline medium and liquid-crystal display comprising the same MERCK PATENT GMBH (DE) 2021-11-09 US disclosed
EP-3763802-A1 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2021-01-13 EP disclosed
EP-3455328-B1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2020-03-04 EP disclosed
CN-110713837-A Thiophene compound, liquid crystal medium and liquid crystal display comprising same 默克专利股份有限公司 2020-01-21 CN disclosed
WO-2017194665-A1 BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA MERCK PATENT GMBH (DE) 2017-11-16 WO disclosed
US-20040016906-A1 Difluoromethyl ether derivative and process for producing the same JNC CORPORATION (JP) 2004-01-29 US disclosed
US-20040004207-A1 Difluoromethyl ether derivative and process for producing the same JNC CORPORATION (JP) 2004-01-08 US disclosed
US-6605747-B2 Reacting the starting material, an alpha , alpha -difluorocyclohexylidene derivative with a halogen to produce an intermediate, reacting the intermediate with a phenol compound in presence of a base CHISSO CORPORATION (JP) 2003-08-12 US disclosed
US-6579577-B2 High voltage holding ratio which has a very small degree of temperature dependence, a low threshold voltage CHISSO CORPORATION (JP) 2003-06-17 US disclosed
US-20020166994-A1 Substituted benzene derivative, liquid crystal composition, and liquid crystal display element CHISSO CORPORATION (JP) 2002-11-14 US disclosed
US-20020120168-A1 Difluoromethyl ether derivative and process for producing the same JNC PETROCHEMICAL CORPORATION (JP) 2002-08-29 US disclosed
EP-1182186-A2 Difluoromethyl ether derivative and process for producing the same CHISSO CORPORATION (JP) 2002-02-27 EP disclosed
US-6344247-B1 HIGH VOLTAGE HOLDING RATIO AND A LOW THRESHOLD VOLTAGE, LITTLE VARIATION OF THESE PROPERTIES DEPENDING ON TEMPERATURE CHANGE, COMPATIBILITY WITH OTHER LIQUID CRYSTAL MATERIALS CHISSO CORPORATION (JP) 2002-02-05 US disclosed
EP-0989107-A1 TERPHENYL DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2000-03-29 EP disclosed
EP-0934919-A1 SUBSTITUTED BENZENE DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-08-11 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-20040004207-A1 Difluoromethyl ether derivative and process for producing the same RCC1, PYM1, SCFD1 CYP17A1 800/4885CYP21A2 806/4885CYP11B1 2724/4885
US-20040016906-A1 Difluoromethyl ether derivative and process for producing the same RCC1, SCFD1, AFF1 CYP17A1 779/4885CYP21A2 818/4885CYP11B1 2710/4885
US-20020120168-A1 Difluoromethyl ether derivative and process for producing the same LEF1, AFF1, RCC1 CYP17A1 856/4885CYP21A2 729/4885CYP11B1 3128/4885
US-20020166994-A1 Substituted benzene derivative, liquid crystal composition, and liquid crystal display element OCIAD2, OCIAD1, POU2F1 CYP17A1 1069/4885CYP21A2 739/4885CYP11B1 1657/4885

“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.