SCHEMBL225334

SCHEMBL225334

CCCCCCOc1ccc(-c2ccc(-c3ccc(CCCC)s3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.43
▸ RARA P10276 2/20 0.43
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ CYP19A1 P11511 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ NR5A1 Q13285 1/20 0.39
▸ PTPN11 Q06124 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MOGAT2 Q3SYC2 1/20 0.37
▸ S1PR1 P21453 2/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ RARG P13631 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL2741574 0.83 ESR1 (0.37) RARBRARACYP1A2CYP2D6CYP2C9
SCHEMBL2847898 0.82 ESR1 (0.45) RARBRARACYP2C9CYP2C19CYP3A4
SCHEMBL1533776 0.82 RARB (0.42) RARBRARACYP1A2CYP2D6CYP2C9
SCHEMBL1533757 0.82 RARB (0.40) RARBRARACYP1A2CYP2D6CYP2C9
SCHEMBL11015662 0.81 RARB (0.50) RARBCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL1533759 0.81 RARB (0.44) RARBRARARARGTSHR
SCHEMBL1533783 0.81 RARB (0.47) RARBRARACYP1A2CYP2D6CYP2C9
SCHEMBL11015078 0.80 CYP2D6 (0.49) RARBCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL11014654 0.80 CYP2D6 (0.49) RARBCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL11016069 0.80 CYP2D6 (0.49) RARBCYP1A2CYP2D6CYP19A1CYP2C9

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8394293-B2 Thiophene derivatives, and LC media containing same MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-12 — — US disclosed
US-8394293-B2 Thiophene derivatives, and LC media containing same MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-12 — — US disclosed
EP-2398787-B1 Thiophene derivates and liquid crystal media comprising the same MERCK PATENT GMBH (DE) 2013-01-30 — — EP disclosed
EP-2265692-B1 THIOPHENE DERIVATIVES, AND LC MEDIA CONTAINING THE SAME MERCK PATENT GMBH (DE) 2012-07-04 — — EP 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
US-20110049427-A1 Thiophene derivatives, and LC media containing same MERCK PATENT GESELLSCHAFT (DE) 2011-03-03 — — US disclosed
US-20110049427-A1 Thiophene derivatives, and LC media containing same MERCK PATENT GESELLSCHAFT (DE) 2011-03-03 — — US disclosed
EP-2265692-A1 THIOPHENE DERIVATIVES, AND LC MEDIA CONTAINING THE SAME Merck Patent GmbH (DE) 2010-12-29 — — EP disclosed
WO-2010099853-A1 THIOPHENE DERIVATES AND LIQUID CRYSTAL MEDIA COMPRISING THE SAME MERCK PATENT GMBH (DE) 2010-09-10 — — WO disclosed
WO-2009129915-A1 THIOPHENE DERIVATIVES, AND LC MEDIA CONTAINING THE SAME MERCK PATENT GMBH (DE) 2009-10-29 — — 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 (2 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 RARB 3907/4885RARA 3956/4885CYP1A2 2102/4885
US-20110049427-A1 Thiophene derivatives, and LC media containing same TPMT, TEC, LCT RARB 3984/4885RARA 4056/4885CYP1A2 2126/4885

“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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