SCHEMBL223481

SCHEMBL223481

CCCC1CCC(c2cc(F)c(-c3ccc(CC)s3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ CTSK P43235 1/20 0.30
▸ CTSC P53634 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30

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
SCHEMBL23346029 0.85 CYP2C9 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL26481784 0.80 CTSK (0.35) CTSKCTSCRAB9AGRIN2B
SCHEMBL10893353 0.75 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10893345 0.75 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL26481787 0.75 CTSK (0.34) CYP2C9CTSKCTSCGRIN2B
SCHEMBL26481790 0.75 CYP3A4 (0.35) CYP2C9ALDH1A1MAPTKMT2ACTSK
SCHEMBL6159058 0.75 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL6159054 0.75 CYP2C9 (0.46) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL7936157 0.74 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL16574935 0.74 CYP2C9 (0.42) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011920-A Liquid crystal media comprising thiophene derivant 默克专利股份有限公司 2017-08-04 — — CN 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-8906261-B2 Liquid crystal medium containing thiophene derivatives MERCK PATENT GMBH (DE) 2014-12-09 — — US disclosed
US-8906261-B2 Liquid crystal medium containing thiophene derivatives MERCK PATENT GMBH (DE) 2014-12-09 — — US 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
US-8486297-B2 Thiophene derivatives, and LC media comprising same MERCK PATENT GMBH (DE) 2013-07-16 — — 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
EP-2398787-B1 Thiophene derivates and liquid crystal media comprising the same MERCK PATENT GMBH (DE) 2013-01-30 — — EP 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
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 (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 CYP2C9 932/4885ALDH1A1 3650/4885LMNA 3168/4885

“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.

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