SCHEMBL3864698

SCHEMBL3864698

C#CC(=O)Oc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
ELANE P08246 1/20 0.43
LIPE Q05469 4/20 0.42
HPGD P15428 1/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
BCHE P06276 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
SCHEMBL3858464 0.94 THRB (0.46) THRATHRBELANELIPEHPGD
SCHEMBL6653843 0.81 THRB (0.51) THRATHRBELANEHPGDMEN1
SCHEMBL31711461 0.79 THRB (0.50) THRATHRBKMT2AMAPTCYP3A4
SCHEMBL6071880 0.79 LMNA (0.57) THRATHRBKMT2AMAPTCYP1A2
SCHEMBL3859415 0.79 THRA (0.54) THRATHRBELANECYP1A2CYP2C19
SCHEMBL16087039 0.79 THRA (0.50) THRATHRBHPGDMEN1KMT2A
SCHEMBL10928698 0.79 ELANE (0.50) THRATHRBELANEMEN1KMT2A
SCHEMBL9260093 0.79 THRA (0.50) THRATHRBMEN1KMT2AMAPT
SCHEMBL505224 0.78 THRA (0.49) THRATHRBELANEHPGDMAPT
SCHEMBL17573439 0.78 ELANE (0.52) THRATHRBELANEMEN1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58079954-A None JP disclosed
CN-110498773-B Method for synthesizing 1, 4-substituted 1,2, 3-triazole from acetylenic acid 乐山师范学院 2021-07-02 CN disclosed
CN-107556269-B Synthetic method of alpha-alkynyl substituted ether compound 南京理工大学 2020-11-06 CN disclosed
CN-108424367-B Method for preparing propiolic acid and derivatives thereof under mild condition 中国科学院化学研究所 2020-08-18 CN disclosed
CN-104151278-B The synthetic method of 1-phenyl-2,3-naphthalene dicarboxylic acids acid anhydride and derivative thereof SHAANXI NORMAL UNIVERSITY (CN) 2016-04-06 CN disclosed
CN-104151278-A Synthesis method of 1-phenyl-2,3-naphthalene dicarboxylic anhydride and derivatives thereof UNIV SHAANXI NORMAL 2014-11-19 CN disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
CN-1183133-C 2-amino-6-anilino-purines and their use as medicaments ��˹��ŵ�� 2005-01-05 CN disclosed
CN-1340054-A 2-amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-03-13 CN disclosed
JP-S5879954-A PROPIOLIC ACID ESTER COMPOUND IHARA CHEM IND CO LTD 1983-05-13 JP 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 (2 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 THRA 4493/4885THRB 4060/4885ELANE 235/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 THRA 170/4885THRB 141/4885ELANE 2070/4885

“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.