SCHEMBL254017

SCHEMBL254017

CC(C)c1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GABRA1 P14867 3/20 0.44
GABRB2 P47870 2/20 0.44
AR P10275 1/20 0.43
HPGD P15428 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
FAAH O00519 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL29835035 1.00 TSHR (0.50) TSHRALDH1A1L3MBTL1GABRA1GABRB2
Ethane SCHEMBL2154170 0.98 TSHR (0.48) TSHRALDH1A1L3MBTL1GABRA1GABRB2
SCHEMBL2154369 0.85 TSHR (0.42) TSHRALDH1A1L3MBTL1GABRA1GABRB2
SCHEMBL20356776 0.84 TSHR (0.48) TSHRALDH1A1L3MBTL1ARHPGD
SCHEMBL5537035 0.82 TSHR (0.46) TSHRALDH1A1L3MBTL1ARHPGD
SCHEMBL507010 0.82 TSHR (0.46) TSHRALDH1A1L3MBTL1ARHPGD
SCHEMBL22011492 0.82 TSHR (0.46) TSHRALDH1A1L3MBTL1ARHPGD
SCHEMBL22435839 0.82 TSHR (0.46) TSHRALDH1A1L3MBTL1ARHPGD
SCHEMBL29974545 0.82 TSHR (0.46) TSHRALDH1A1L3MBTL1ARHPGD
SCHEMBL536175 0.82 TSHR (0.46) TSHRALDH1A1L3MBTL1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-20240208983-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 VANDERBILT UNIVERSITY 2024-06-27 US disclosed
WO-2024038282-A1 2-AZA- AND 2-OXABICYCLO[2.1.1]HEXANE DERIVATIVES AS FACTOR XIIA ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2024-02-22 WO disclosed
CN-111094242-B Compounds and compositions for treating disorders associated with NLRP activity 诺华股份有限公司 2024-02-09 CN disclosed
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 US disclosed
WO-2006057983-A1 MACROCYCLIC AMINOPYRIDYL BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2006-06-01 WO disclosed
WO-2006003495-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2006-01-12 WO disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 US disclosed
WO-2005032471-A2 BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-04-14 WO disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 US disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 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 (9 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD TSHR 412/4885ALDH1A1 2664/4885L3MBTL1 1234/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD TSHR 400/4885ALDH1A1 2956/4885L3MBTL1 1246/4885
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 TSHR 3455/4885ALDH1A1 1804/4885L3MBTL1 1544/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 TSHR 156/4885ALDH1A1 289/4885L3MBTL1 3452/4885
US-20240024318-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCA2, SMARCC2 TSHR 4388/4885ALDH1A1 2230/4885L3MBTL1 2934/4885
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 TSHR 1910/4885ALDH1A1 3112/4885L3MBTL1 925/4885
US-20240208983-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM2, GRM1, GRM3 TSHR 431/4885ALDH1A1 2776/4885L3MBTL1 4204/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 TSHR 97/4885ALDH1A1 3033/4885L3MBTL1 4370/4885
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD TSHR 3697/4885ALDH1A1 2460/4885L3MBTL1 3477/4885

“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.