SCHEMBL225580

SCHEMBL225580

CCc1ccc(-c2cc(F)c(B(O)O)c(F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.47
LIPG Q9Y5X9 1/20 0.47
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
FAAH O00519 1/20 0.38
RARB P10826 2/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
EGFR P00533 1/20 0.37
KIF11 P52732 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
LMNA P02545 1/20 0.35
CYP17A1 P05093 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP19A1 P11511 1/20 0.35
TRPA1 O75762 1/20 0.34
CA12 O43570 1/20 0.33
ALPL P05186 1/20 0.33

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
SCHEMBL223453 0.86 LPL (0.50) LPLLIPGRARBRARARARG
SCHEMBL1533781 0.82 LPL (0.47) LPLLIPGRXRARXRBFAAH
SCHEMBL19384703 0.81 RARB (0.60) LPLLIPGRARBRARARARG
SCHEMBL23512339 0.79 ESR1 (0.47) RXRARXRBFAAHRARBRARA
SCHEMBL15196005 0.79 CA2 (0.41) LPLLIPGCYP11B1CYP11B2ESR1
SCHEMBL16258125 0.79 TAAR1 (0.41) RXRARXRBFAAHRARBRARA
SCHEMBL8862226 0.79 TAAR1 (0.41) RXRARXRBFAAHRARBRARA
SCHEMBL16104441 0.79 TAAR1 (0.41) RXRARXRBFAAHRARBRARA
SCHEMBL19844719 0.77 TAAR1 (0.40) RXRARXRBFAAHRARBRARA
SCHEMBL26036251 0.77 CHKA (0.42) RXRARXRBFAAHRARBRARA

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 11 patents. 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
EP-2598604-B1 LIQUID CRYSTAL MEDIUM CONTAINING THIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2015-11-25 EP disclosed
US-8906261-B2 Liquid crystal medium containing thiophene derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8486297-B2 Thiophene derivatives, and LC media comprising same MERCK PATENT GMBH (DE) 2013-07-16 US disclosed
EP-2598604-A1 LIQUID CRYSTAL MEDIUM CONTAINING THIOPHENE DERIVATIVES Merck Patent GmbH (DE) 2013-06-05 EP disclosed
US-20130119312-A1 LIQUID CRYSTAL MEDIUM CONTAINING THIOPHENE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120001123-A1 THIOPHENE DERIVATIVES, AND LC MEDIA COMPRISING SAME TEC, TPMT, TST LPL 86/4885LIPG 477/4885RXRA 3644/4885

“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.