SCHEMBL4428574

SCHEMBL4428574

Cc1ccc(-c2ccc(-c3ccc(F)cc3)cc2F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.53
▸ AKR1C2 P52895 3/20 0.53
▸ AKR1B10 O60218 2/20 0.50
▸ AKR1C4 P17516 2/20 0.50
▸ AKR1C1 Q04828 2/20 0.50
▸ PDE3B Q13370 3/20 0.47
▸ PDE3A Q14432 3/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.44
▸ APP P05067 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NISCH Q9Y2I1 1/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ CA1 P00915 1/20 0.39

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
SCHEMBL13703908 0.92 AKR1C3 (0.58) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL23173084 0.92 AKR1C3 (0.58) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL26974251 0.90 AKR1C3 (0.54) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL13906282 0.90 TNKS2 (0.50) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL803430 0.89 AKR1C3 (0.53) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL10024806 0.89 AKR1C3 (0.53) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL10027433 0.85 AKR1C3 (0.50) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL16945883 0.85 PTGS2 (0.46) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL13703909 0.83 NISCH (0.50) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL803238 0.82 AKR1C3 (0.50) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 — — US disclosed
US-12043782-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 — — US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 — — US disclosed
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 — — US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 — — US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 — — US disclosed
EP-4279565-A2 THIOPHENE COMPOUND, LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME Merck Patent GmbH (DE) 2023-11-22 — — EP disclosed
EP-3980510-B1 LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2023-11-08 — — EP disclosed
US-11795398-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2023-10-24 — — US disclosed
US-11795398-B2 Liquid-crystalline medium and liquid-crystal display comprising the same and compounds MERCK PATENT GMBH (DE) 2023-10-24 — — US disclosed
US-8659737-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2014-02-25 — — US disclosed
US-8659737-B2 Liquid crystal medium and liquid crystal display MERCK PATENT GMBH (DE) 2014-02-25 — — US disclosed
US-8585925-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2013-11-19 — — US disclosed
US-20130057947-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-07 — — US disclosed
US-20120256124-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-11 — — US disclosed
EP-2508588-A2 Liquid-crystalline medium and liquid-crystal display Merck Patent GmbH (DE) 2012-10-10 — — EP disclosed
WO-2012052104-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2012-04-26 — — WO disclosed
US-20120032112-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-02-09 — — US disclosed
WO-2010089092-A1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2010-08-12 — — WO disclosed
EP-2100944-A1 Liquid crystal medium and liquid crystal display MERCK PATENT GmbH (DE) 2009-09-16 — — EP 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 AKR1C3 3263/4885AKR1C2 3129/4885AKR1B10 3516/4885

“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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