SCHEMBL4203403

SCHEMBL4203403

Cc1cc(C)c(C#N)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
EGLN2 Q96KS0 4/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
CYP2A6 P11509 1/20 0.32
S1PR1 P21453 1/20 0.32
CSNK1D P48730 1/20 0.32

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
SCHEMBL119203 0.94 TSHR (0.50) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL5945887 0.91 TSHR (0.48) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL10098510 0.88 TSHR (0.46) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL30394200 0.88 TSHR (0.50) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL8954330 0.88 TSHR (0.50) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL30702008 0.85 TSHR (0.39) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL1343876 0.85 TSHR (0.39) TSHRALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL20444047 0.83 TSHR (0.42) TSHRALDH1A1KMT2AL3MBTL1EGLN2
Bicarbonate SCHEMBL11599443 0.81 TSHR (0.41) TSHRALDH1A1KMT2AL3MBTL1POLB
SCHEMBL6322423 0.81 TSHR (0.41) TSHRALDH1A1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12534685-B2 Fragrance composition SYMRISE AG (DE) 2026-01-27 US claimed
US-20230159854-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2023-05-25 US claimed
EP-4149919-A1 A FRAGRANCE COMPOSITION Symrise AG (DE) 2023-03-22 EP claimed
CN-115551828-A Perfume composition 西姆莱斯股份公司 2022-12-30 CN claimed
WO-2021228352-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2021-11-18 WO claimed
WO-2021228840-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2021-11-18 WO claimed
US-12534685-B2 Fragrance composition SYMRISE AG (DE) 2026-01-27 US disclosed
EP-3604983-B1 METHOD FOR DETECTING LOCATION OF REFRIGERANT LEAK DAIKIN IND LTD (JP) 2024-07-17 EP disclosed
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230159854-A1 A FRAGRANCE COMPOSITION SYMRISE AG (DE) 2023-05-25 US disclosed
EP-4149919-A1 A FRAGRANCE COMPOSITION Symrise AG (DE) 2023-03-22 EP disclosed
US-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF ORION CORP (FI) 2023-01-26 US disclosed
CN-115551828-A Perfume composition 西姆莱斯股份公司 2022-12-30 CN disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 US disclosed
EP-1518853-B1 Method for producing alkyl and/or cycloalkyl-substituted cyclic nitrile MITSUBISHI GAS CHEMICAL CO (JP) 2009-03-04 EP disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
US-7102025-B2 Method for producing alkyl and/or cycloalkyl-substituted cyclic nitrile MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-09-05 US disclosed
US-20050124823-A1 Method for producing alkyl and/or cycloalkyl-substituted cyclic nitrile MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-06-09 US disclosed
EP-1518853-A1 Method for producing alkyl and/or cycloalkyl-substituted cyclic nitrile MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-03-30 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 (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-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F TSHR 3349/4885ALDH1A1 1729/4885KMT2A 3925/4885
US-12534685-B2 Fragrance composition NCLN, HCN2, TRPA1 TSHR 3358/4885ALDH1A1 1363/4885KMT2A 2417/4885
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS TSHR 3799/4885ALDH1A1 2706/4885KMT2A 535/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F TSHR 3349/4885ALDH1A1 1729/4885KMT2A 3925/4885
US-20230159854-A1 A FRAGRANCE COMPOSITION NISCH, NOS1, COXFA4 TSHR 4764/4885ALDH1A1 438/4885KMT2A 2511/4885

“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.