SCHEMBL222939

SCHEMBL222939

CCc1ccc(-c2c(F)cc(B(O)O)cc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 6/20 0.55
LIPG Q9Y5X9 6/20 0.55
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
EGFR P00533 1/20 0.36
CA12 O43570 1/20 0.36
ALPL P05186 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
MGLL Q99685 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL12190329 0.81 TAAR1 (0.41) EGFRCA12ALPLCA9SMN1; SMN2
SCHEMBL712767 0.79 LPL (0.38) LPLLIPGCA1CA2TRPV1
SCHEMBL2482085 0.75 LPL (0.86) LPLLIPGCA1CA2EGFR
SCHEMBL1533781 0.74 LPL (0.47) LPLLIPGEGFRTAAR1LMNA
SCHEMBL225580 0.74 LPL (0.47) LPLLIPGEGFRCA12ALPL
SCHEMBL11671752 0.74 TTR (0.47) EGFRSMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL150306 0.72 LPL (1.00) LPLLIPGCA1CA2TRPV1
SCHEMBL10894629 0.72 CYP2A6 (0.55) CA12ALPLCA9TP53
SCHEMBL16258045 0.71 CYP17A1 (0.46) EGFRTAAR1LMNATP53METAP2
SCHEMBL15965524 0.71 TAAR1 (0.36) EGFRCA12ALPLCA9SMN1; SMN2

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 477/4885CA1 2869/4885

“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.