SCHEMBL179312

SCHEMBL179312

CC(C)(C)c1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.42
AR P10275 7/20 0.42
CA2 P00918 2/20 0.41
SLC22A12 Q96S37 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NAMPT P43490 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CA1 P00915 1/20 0.36
ESR2 Q92731 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
Ethane SCHEMBL2153712 0.98 TSHR (0.48) TSHRALDH1A1TDP1HTTAR
Ethylene SCHEMBL28248107 0.96 TSHR (0.46) TSHRALDH1A1TDP1HTTAR
SCHEMBL2153618 0.85 AR (0.45) TSHRALDH1A1TDP1ARSLC22A12
SCHEMBL25668410 0.83 AR (0.45) TSHRALDH1A1HTTARSLC22A12
SCHEMBL30619339 0.82 TSHR (0.46) TSHRALDH1A1TDP1HTTAR
SCHEMBL30539490 0.82 TSHR (0.46) TSHRALDH1A1HTTARCA2
SCHEMBL29852135 0.82 AR (0.47) TSHRALDH1A1HTTARSLC22A12
SCHEMBL151808 0.82 TSHR (0.46) TSHRALDH1A1HTTARCA2
SCHEMBL10471530 0.82 TSHR (0.46) TSHRALDH1A1HTTARCA2
SCHEMBL9034853 0.82 TSHR (0.46) TSHRALDH1A1TDP1HTTAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100335174-C Method of preparing catalyst camied by composite oxides and application UNIV WUHAN (CN) 2007-09-05 CN claimed
CN-1660499-A Method of preparing catalyst camied by composite oxides and application UNIV WUHAN (CN) 2005-08-31 CN claimed
CN-116535409-B Pyrrolo-pyrrole-dione sulfonate compound and preparation method and application thereof 华东理工大学 2025-05-27 CN disclosed
US-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-12035618-B2 Electroluminescent devices UNIVERSAL DISPLAY CORPORATION (US) 2024-07-09 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240218027-A1 NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2024-07-04 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 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-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
EP-0556156-B1 Process for the preparation of 2-hydroxy-4,6-diaryl-1,3,5-triazine CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
US-5288868-A Intermediates in synthesis of ultraviolet light absorbers CIBA-GEIGY CORPORATION (US) 1994-02-22 US disclosed
EP-0580231-A1 Process for the preparation of 4-tert-butylbenzaldehyde IMI (TAMI) INSTITUTE FOR RESEARCH & DEVELOPMENT LTD. (IL) 1994-01-26 EP disclosed
EP-0556156-A1 Process for the preparation of 2-hydroxy-4,6-diaryl-1,3,5-triazine CIBA-GEIGY AG (CH) 1993-08-18 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 (7 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 TSHR 3990/4885ALDH1A1 4692/4885TDP1 1721/4885
US-12035618-B2 Electroluminescent devices ELAVL1, ELAVL3, JUND TSHR 4120/4885ALDH1A1 1948/4885TDP1 186/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD TSHR 4595/4885ALDH1A1 2457/4885TDP1 1022/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 TSHR 4567/4885ALDH1A1 3639/4885TDP1 2380/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 TSHR 97/4885ALDH1A1 3033/4885TDP1 1963/4885
US-20240218027-A1 NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF SLC35B2, SLC29A2, PNP TSHR 2785/4885ALDH1A1 2777/4885TDP1 835/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG TSHR 2736/4885ALDH1A1 149/4885TDP1 3894/4885

“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.