SCHEMBL223453

SCHEMBL223453

CCCc1ccc(-c2cc(F)c(B(O)O)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.50
LIPG Q9Y5X9 5/20 0.50
RARB P10826 5/20 0.44
RARA P10276 1/20 0.44
RARG P13631 1/20 0.44
MCL1 Q07820 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.38
MAOB P27338 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL19384703 0.88 RARB (0.60) LPLLIPGRARBRARARARG
SCHEMBL225580 0.86 LPL (0.47) LPLLIPGRARBRARARARG
SCHEMBL31028375 0.83 LPL (0.50) LPLLIPGRARBRARARARG
SCHEMBL1533780 0.83 LPL (0.50) LPLLIPGRARBRARARARG
SCHEMBL7743235 0.82 LPL (0.45) LPLLIPGCA1CA2NPC1
SCHEMBL16038459 0.81 MCL1 (0.49) LPLLIPGRARBRARARARG
SCHEMBL16258127 0.80 RARB (0.46) LPLLIPGRARBRARARARG
SCHEMBL14525745 0.80 RARB (0.46) LPLLIPGRARBRARARARG
SCHEMBL9764255 0.80 RARB (0.46) LPLLIPGRARBRARARARG
SCHEMBL9253107 0.80 LPL (0.38) LPLLIPGRARBRARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011920-B Liquid-crystalline medium comprising thiophene derivatives 默克专利股份有限公司 2021-06-22 CN disclosed
US-9803140-B2 Liquid crystal compound and liquid crystal composition SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2017-10-31 US disclosed
US-9803140-B2 Liquid crystal compound and liquid crystal composition SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2017-10-31 US disclosed
US-20170101581-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2017-04-13 US disclosed
US-20170101581-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2017-04-13 US disclosed
US-9315727-B2 Compound having fluorinated naphthalene structure and liquid crystal composition of the same DIC Corporation (Tokyo) (JP) 2016-04-19 US disclosed
EP-2598604-B1 LIQUID CRYSTAL MEDIUM CONTAINING THIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2015-11-25 EP disclosed
EP-2598604-B1 LIQUID CRYSTAL MEDIUM CONTAINING THIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2015-11-25 EP disclosed
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME DIC CORPORATION (JP) 2015-09-17 US disclosed
US-8906261-B2 Liquid crystal medium containing thiophene derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2398787-B1 Thiophene derivates and liquid crystal media comprising the same MERCK PATENT GMBH (DE) 2013-01-30 EP disclosed
WO-2012013281-A1 LIQUID CRYSTAL MEDIUM CONTAINING THIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2012-02-02 WO disclosed
WO-2012013281-A1 LIQUID CRYSTAL MEDIUM CONTAINING THIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2012-02-02 WO disclosed
WO-2012007096-A1 LIQUID-CRYSTALLINE MEDIUM WITH STABILIZER MERCK PATENT GMBH (DE) 2012-01-19 WO disclosed
US-20120001123-A1 THIOPHENE DERIVATIVES, AND LC MEDIA COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-05 US disclosed
US-20120001123-A1 THIOPHENE DERIVATIVES, AND LC MEDIA COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-05 US disclosed
US-20120001123-A1 THIOPHENE DERIVATIVES, AND LC MEDIA COMPRISING SAME MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-05 US disclosed
EP-2398787-A1 THIOPHENE DERIVATES AND LIQUID CRYSTAL MEDIA COMPRISING THE SAME Merck Patent GmbH (DE) 2011-12-28 EP disclosed
WO-2010099853-A1 THIOPHENE DERIVATES AND LIQUID CRYSTAL MEDIA COMPRISING THE SAME MERCK PATENT GMBH (DE) 2010-09-10 WO disclosed
WO-2010099853-A1 THIOPHENE DERIVATES AND LIQUID CRYSTAL MEDIA COMPRISING THE SAME MERCK PATENT GMBH (DE) 2010-09-10 WO 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 (3 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-20170101581-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION LBR, CTNND1, CCNT1 LPL 2260/4885LIPG 2342/4885RARB 1649/4885
US-20120001123-A1 THIOPHENE DERIVATIVES, AND LC MEDIA COMPRISING SAME TEC, TPMT, TST LPL 86/4885LIPG 477/4885RARB 3907/4885
US-20150259599-A1 COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF THE SAME TNK1, CTNND1, FLI1 LPL 1101/4885LIPG 2349/4885RARB 2583/4885

“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.