Phenylacetylene

Phenylacetylene

SCHEMBL6530256

C#Cc1ccccc1.O=Cc1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
CYP2A6 P11509 2/20 0.64
LMNA P02545 2/20 0.38
TRPA1 O75762 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
PPARG P37231 1/20 0.37
UNG P13051 1/20 0.36
APP P05067 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
FFAR1 O14842 1/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
Benzaldehyde SCHEMBL6862921 0.93 ALDH1A1 (0.61) ALDH1A1CYP2A6LMNATRPA1ALOX5
SCHEMBL92340 0.83 CYP2A6 (0.46) ALDH1A1CYP2A6HDAC8HSD17B10ALDH5A1
Phenylacetylene SCHEMBL28137099 0.81 HDAC8 (0.44) ALDH1A1CYP2A6APPCYP2C9HDAC8
Phenylacetylene SCHEMBL27475394 0.81 APP (0.39) ALDH1A1CYP2A6APPCYP2C9HDAC8
Phenylacetylene SCHEMBL27256635 0.81 PTPN1 (0.39) ALDH1A1CYP2A6MAPK1APPCYP2C9
SCHEMBL577853 0.80 ALDH1A1 (0.48) ALDH1A1CYP2A6UNGFFAR1
SCHEMBL29569326 0.80 ALDH1A1 (0.48) ALDH1A1CYP2A6UNGFFAR1
Benzaldehyde SCHEMBL28968614 0.80 ALDH1A1 (0.88) ALDH1A1CYP2A6LMNATRPA1ALOX5
Benzaldehyde SCHEMBL28138348 0.80 ALDH1A1 (0.88) ALDH1A1CYP2A6LMNATRPA1ALOX5
Phenylacetylene SCHEMBL4297769 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115504953-A Preparation method of 3-isocoumarin chromone compound 昆明理工大学 2022-12-23 CN disclosed
CN-114751806-A Diaryl acetylene compound and preparation method thereof 上海泰坦科技股份有限公司 2022-07-15 CN disclosed
CN-107445835-B Synthesis method of 1, 2-dihydro cyclobuteno [ a ] naphthalene derivative and precursor thereof 江苏师范大学 2020-09-22 CN disclosed
US-8680150-B2 Small molecule hematopoietic growth factor mimetic compounds that activate hematopoietic growth factor receptors LIGAND PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20110003851-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS THAT ACTIVATE HEMATOPOIETIC GROWTH FACTOR RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 2011-01-06 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 (1 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-20110003851-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS THAT ACTIVATE HEMATOPOIETIC GROWTH FACTOR RECEPTORS MPL, CSF3R, CSF1R ALDH1A1 3164/4885CYP2A6 4472/4885LMNA 4304/4885

“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.