SCHEMBL162349

SCHEMBL162349

O=C(O)C#Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.58
CYP1A1 P04798 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP1B1 Q16678 1/20 0.54
HDAC1 Q13547 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
KCNH2 Q12809 1/20 0.44
ACACB O00763 1/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTPN1 P18031 1/20 0.44
GSK3B P49841 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
VCP P55072 1/20 0.43

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
Hydrochloric Acid SCHEMBL3857755 0.98 FFAR1 (0.56) FFAR1CYP1A1CYP1A2CYP1B1HDAC1
SCHEMBL68968 0.86 NPSR1 (0.59) FFAR1NPSR1MAPTVCP
Benzene SCHEMBL28174766 0.86 NPSR1 (0.59) FFAR1NPSR1MAPTVCP
SCHEMBL9629232 0.86 FFAR1 (0.50) FFAR1NPSR1SMN1; SMN2VCP
SCHEMBL3291886 0.85 FFAR1 (0.49) FFAR1MAPTPTPN1
SCHEMBL6554023 0.84 NPSR1 (0.63) FFAR1NPSR1MAPTVCP
SCHEMBL6553632 0.84 NPSR1 (0.57) FFAR1NPSR1MAPTVCP
SCHEMBL2281388 0.84 NPSR1 (0.57) FFAR1NPSR1MAPTVCP
SCHEMBL6552221 0.84 NPSR1 (0.57) FFAR1NPSR1MAPTVCP
SCHEMBL9629210 0.84 NPSR1 (0.57) FFAR1NPSR1MAPTVCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113548965-B Preparation method of 1,4 eneyne compound 南京工业大学 2022-07-26 CN claimed
CN-113548965-A Preparation method of 1, 4-eneyne compound 南京工业大学 2021-10-26 CN claimed
US-20260028554-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES OSMO LABS PBC (US) 2026-01-29 US disclosed
CN-113548965-B Preparation method of 1,4 eneyne compound 南京工业大学 2022-07-26 CN disclosed
CN-113548965-A Preparation method of 1, 4-eneyne compound 南京工业大学 2021-10-26 CN disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
EP-2611771-B1 SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-11-23 EP disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
US-8835472-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
EP-2611771-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-07-10 EP disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G FFAR1 4197/4885CYP1A1 1514/4885CYP1A2 373/4885
US-20260028554-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES TAS2R42, TAS2R4, TAS2R41 FFAR1 673/4885CYP1A1 144/4885CYP1A2 220/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 FFAR1 665/4885CYP1A1 3686/4885CYP1A2 3673/4885

“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.