SCHEMBL5179481

SCHEMBL5179481

C#Cc1ccc(C#C)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
FABP7 O15540 1/20 0.36
FABP3 P05413 1/20 0.36
FABP5 Q01469 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP2A6 P11509 4/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AR P10275 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
CYP1A2 P05177 5/20 0.32
CYP2C19 P33261 1/20 0.32
IDO1 P14902 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
SCHEMBL6894903 0.88 FABP7 (0.39) FABP7FABP3FABP5CYP19A1CYP2A6
SCHEMBL14873787 0.85 RXFP1 (0.36) IMPDH2IMPDH1FABP7FABP3FABP5
SCHEMBL688880 0.85 IDO1 (0.46) FABP7FABP3FABP5ALDH1A1TSHR
SCHEMBL2203417 0.85 CYP1A2 (0.59) IMPDH2IMPDH1FABP7FABP3FABP5
SCHEMBL737625 0.85 SLC6A4 (0.33) IMPDH2IMPDH1FABP7FABP3FABP5
SCHEMBL29061922 0.80 SLC22A12 (0.32)
SCHEMBL11818532 0.80 IMPDH2 (0.67) IMPDH2IMPDH1FABP7FABP3FABP5
SCHEMBL689124 0.78 NR4A1 (0.47) FABP7FABP3FABP5ALDH1A1TSHR
SCHEMBL29549980 0.78 CYP1A2 (0.48) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL29977314 0.78 CYP1A2 (0.48) CYP2A6ALDH1A1TSHRHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486115-B1 ELECTRORHEOLOGIC FLUID COMPRISING ORGANIC SUBSTANCES THAT CAN BE DOPED AND USE THEREOF FRAUNHOFER GES FORSCHUNG (DE) 2015-05-20 EP claimed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US claimed
US-12084554-B2 Polyphenylenes, methods, and uses thereof SIMON FRASER UNIVERSITY (CA) 2024-09-10 US disclosed
US-11970590-B2 Polyphenylenes, methods, and uses thereof SIMON FRASER UNIVERSITY 2024-04-30 US disclosed
US-20240117132-A1 POLYPHENYLENES, METHODS, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2024-04-11 US disclosed
US-11802187-B2 Polyphenylenes, methods, and uses thereof SIMON FRASER UNIVERSITY (CA) 2023-10-31 US disclosed
WO-2023100914-A1 METHOD FOR MANUFACTURING OLIGOFURAN SKELETON-CONTAINING POLYCARBOSILANE AND OLIGOFURAN SKELETON-CONTAINING POLYCARBOSILANE 国立大学法人群馬大学 2023-06-08 WO disclosed
US-20230159716-A1 POLYPHENYLENES, METHODS, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2023-05-25 US disclosed
US-20200362129-A1 POLYPHENYLENES, METHODS, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2020-11-19 US disclosed
EP-3609865-A1 POLYPHENYLENES, METHODS, AND USES THEREOF Simon Fraser University (CA) 2020-02-19 EP disclosed
CN-110730774-A Phenylene polymers, methods and uses thereof 西蒙弗雷泽大学 2020-01-24 CN disclosed
US-4144218-A MOLDING MATERIALS HERCULES INCORPORATED (US) 1979-03-13 US disclosed
EP-0000385-A1 Thermosetting compositions based on polyarylacetylenes and substituted polyphenylene oxides and resins obtained by curing them HERCULES INCORPORATED (US) 1979-01-24 EP disclosed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US disclosed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-3993711-A THERMOSETTING RESINS; COUPLING AGENTS; CARBOXYLATED PREPOLYMER HERCULES INCORPORATED (US) 1976-11-23 US disclosed
US-3931093-A CURING HERCULES INCORPORATED (US) 1976-01-06 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 (6 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-20200362129-A1 POLYPHENYLENES, METHODS, AND USES THEREOF PICALM, PARN, PHOSPHO1 IMPDH2 3795/4885IMPDH1 4099/4885FABP7 2641/4885
US-20240117132-A1 POLYPHENYLENES, METHODS, AND USES THEREOF PICALM, PARN, PHOSPHO1 IMPDH2 4033/4885IMPDH1 4246/4885FABP7 2898/4885
US-11802187-B2 Polyphenylenes, methods, and uses thereof PICALM, PARN, PHOSPHO1 IMPDH2 3795/4885IMPDH1 4099/4885FABP7 2641/4885
US-20230159716-A1 POLYPHENYLENES, METHODS, AND USES THEREOF PICALM, PARN, PHOSPHO1 IMPDH2 4033/4885IMPDH1 4246/4885FABP7 2898/4885
US-12084554-B2 Polyphenylenes, methods, and uses thereof PICALM, PARN, PHOSPHO1 IMPDH2 4033/4885IMPDH1 4246/4885FABP7 2898/4885
US-11970590-B2 Polyphenylenes, methods, and uses thereof PICALM, PARN, PHOSPHO1 IMPDH2 4033/4885IMPDH1 4246/4885FABP7 2898/4885

“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.