SCHEMBL9945875

SCHEMBL9945875

Cc1ccc(C)c(C(C)C)c1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
ACHE P22303 1/20 0.31

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
SCHEMBL9945905 0.85 ACHE (0.33) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL10304822 0.85 ACHE (0.33) LMNATRPA1PTGS1CACNA1CACHE
SCHEMBL9945873 0.81 LMNA (0.30) LMNA
SCHEMBL12360639 0.81 HTR2A (0.37) LMNA
SCHEMBL17988483 0.81 ALDH1A1 (0.31) LMNA
SCHEMBL24681025 0.81 TRPA1 (0.42) LMNATRPA1PTGS1CACNA1C
SCHEMBL13242270 0.81 HTR2A (0.33) LMNA
SCHEMBL21116110 0.81 LMNA (0.30) LMNA
SCHEMBL24294003 0.80
SCHEMBL12433421 0.79 ACHE (0.31) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20240025885-A1 TRIAZINE DERIVATIVES AND METHODS OF USE THEREOF ASCLETIS BIOSCIENCE CO., LTD. (CN) 2024-01-25 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
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-20230313043-A1 OPTICAL COMPONENT MERCK PATENT GMBH (DE) 2023-10-05 US disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
US-11739265-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-08-29 US disclosed
EP-3739020-B1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
US-20140021409-A1 MESOGENIC COMPOUNDS, LIQUID-CRYSTALLINE MEDIA AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2014-01-23 US disclosed
US-20140021409-A1 MESOGENIC COMPOUNDS, LIQUID-CRYSTALLINE MEDIA AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2014-01-23 US disclosed
US-20130292608-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-11-07 US disclosed
US-20130292608-A1 LIQUID-CRYSTALLINE MEDIA, COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY, AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2013-11-07 US disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 US disclosed
WO-2012126563-A1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIA AND COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2012-09-27 WO disclosed
WO-2012126576-A1 MESOGEN COMPOUNDS, LIQUID CRYSTALLINE MEDIA AND COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2012-09-27 WO disclosed
WO-2012126565-A1 MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIA, AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY MERCK PATENT GMBH (DE) 2012-09-27 WO disclosed
WO-2012097853-A1 LIQUID CRYSTALLINE MEDIA, COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY AND MESOGENIC COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 WO disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US 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 (5 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 LMNA 3453/4885TRPA1 971/4885PTGS1 614/4885
US-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 LMNA 2735/4885TRPA1 1/4885PTGS1 4117/4885
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS LMNA 3948/4885TRPA1 3903/4885PTGS1 1657/4885
US-20240025885-A1 TRIAZINE DERIVATIVES AND METHODS OF USE THEREOF HAVCR2, DDX5, SARS1 LMNA 1531/4885TRPA1 3703/4885PTGS1 1104/4885
US-11739265-B2 Aromatic isothiocyanates TRPA1, CRY1, FOXM1 LMNA 4099/4885TRPA1 1/4885PTGS1 3827/4885

“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.