SCHEMBL24345107

SCHEMBL24345107

CCCCCC#CC(=O)c1ccc(C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.47
MMP12 P39900 1/20 0.47
HSD17B3 P37058 7/20 0.41
KMT2A Q03164 1/20 0.40
PTPN7 P35236 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HMGCR P04035 1/20 0.40
GAA P10253 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL9241002 0.85 CES2 (0.49) MMP2MMP12KMT2APTPN7HMGCR
SCHEMBL28408619 0.83 CES1 (0.50) MMP2MMP12PTPN7HMGCRFFAR1
SCHEMBL25749243 0.83 MMP2 (0.47) MMP2MMP12HSD17B3KMT2AFFAR1
SCHEMBL24345232 0.81 HDAC1 (0.47) MMP2MMP12
SCHEMBL1315161 0.81 MMP2 (0.52) MMP2MMP12HSD17B3FFAR1FFAR4
SCHEMBL17602717 0.81 VCP (0.47) MMP2MMP12HSD17B3KMT2AL3MBTL1
SCHEMBL24345826 0.80 ALDH1A1 (0.50) KMT2A
SCHEMBL31614581 0.80 ESR1 (0.49) MMP2MMP12
SCHEMBL17602746 0.80 HTR7 (0.57) MMP2MMP12HSD17B3GAA
SCHEMBL7508812 0.80 HDAC1 (0.46) MMP2MMP12HSD17B3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691135-B2 Synthesis of alkynones via carbonylative Sonogashira coupling reactions catalyzed by Pd(II)-N-Heterocyclic carbene-pyridine complexes KING FAHD UNIVERSITY OF PETROLEUM & MINERALS (SA) 2023-07-04 US disclosed
US-11691135-B2 Synthesis of alkynones via carbonylative Sonogashira coupling reactions catalyzed by Pd(II)-N-Heterocyclic carbene-pyridine complexes KING FAHD UNIVERSITY OF PETROLEUM & MINERALS (SA) 2023-07-04 US disclosed
US-20220118435-A1 SYNTHESIS OF ALKYNONES VIA CARBONYLATIVE SONOGASHIRA COUPLING REACTIONS CATALYZED BY PD(II)-N-HETEROCYCLIC CARBENE-PYRIDINE COMPLEXES KING FAHD UNIVERSITY OF PETROLEUM & MINERALS (SA) 2022-04-21 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 (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-11691135-B2 Synthesis of alkynones via carbonylative Sonogashira coupling reactions catalyzed by Pd(II)-N-Heterocyclic carbene-pyridine complexes PDK2, SNCA, YAP1 MMP2 4873/4885MMP12 4846/4885HSD17B3 2510/4885
US-20220118435-A1 SYNTHESIS OF ALKYNONES VIA CARBONYLATIVE SONOGASHIRA COUPLING REACTIONS CATALYZED BY PD(II)-N-HETEROCYCLIC CARBENE-PYRIDINE COMPLEXES PDK2, SNCA, YAP1 MMP2 4873/4885MMP12 4846/4885HSD17B3 2510/4885

“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.