Phenylacetylene

Phenylacetylene

SCHEMBL5853902

C#Cc1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
HDAC8 Q9BY41 3/20 0.42
TSHR P16473 1/20 0.39
PTPN1 P18031 2/20 0.38
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CA4 P22748 1/20 0.34
CYP19A1 P11511 1/20 0.33
MAPT P10636 1/20 0.33

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
Phenylacetylene SCHEMBL28395897 0.97 APP (0.41) APPHDAC8TSHRPTPN1CYP2C9
Phenylacetylene SCHEMBL4884 0.88
Phenylacetylene SCHEMBL4297769 0.88
Phenylacetylene SCHEMBL27795197 0.88 APP (0.53) APPHDAC8TSHRPTPN1CYP2C9
Phenylacetylene SCHEMBL1331398 0.88
Phenylacetylene SCHEMBL6891916 0.88 APP (0.53) APPHDAC8TSHRPTPN1CYP2C9
Phenylacetylene SCHEMBL1331558 0.88
Phenylacetylene SCHEMBL1331408 0.88
Biphenyl SCHEMBL28621540 0.86 ALDH1A1 (0.53) APPHDAC8TSHRCYP2C9ALDH1A1
Phenylacetylene SCHEMBL28273554 0.86 HDAC8 (0.46) APPHDAC8TSHRPTPN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 WO disclosed
US-9908819-B1 Printing method for production a ceramic green body WZR ceramic solutions GmbH (DE) 2018-03-06 US disclosed
US-20060100465-A1 METHOD FOR HALOGENATING OR RADIOHALOGENATING A CHEMICAL COMPOUND UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-05-11 US disclosed
US-7041859-B1 Method for halogenating or radiohalogenating a chemical compound UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2006-05-09 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-20060100465-A1 METHOD FOR HALOGENATING OR RADIOHALOGENATING A CHEMICAL COMPOUND AOX1, TPO, LPO APP 4097/4885HDAC8 1848/4885TSHR 351/4885

“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.