SCHEMBL24345826

SCHEMBL24345826

CCCCCC#CC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
OPRK1 P41145 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
GSK3B P49841 1/20 0.46
MAPK1 P28482 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CES1 P23141 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MGLL Q99685 2/20 0.44

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
SCHEMBL17602720 0.96 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1HSP90AA1
SCHEMBL24345107 0.80 MMP2 (0.47) KMT2A
SCHEMBL28653544 0.80 MGLL (0.56) ALDH1A1MAPTKMT2AHDAC3HDAC1
SCHEMBL24345945 0.80 MAPT (0.57) ALDH1A1MAPTKMT2AMEN1HSP90AA1
SCHEMBL9241002 0.79 CES2 (0.49) ALDH1A1MAPTKMT2AMEN1ALOX12
SCHEMBL17602741 0.78 HDAC3 (0.45) ALDH1A1MAPTKMT2AHDAC3HDAC1
SCHEMBL17602739 0.78 HDAC3 (0.45) ALDH1A1MAPTKMT2AHDAC3HDAC1
SCHEMBL9439906 0.77 ALDH1A1 (0.63) ALDH1A1MAPTKMT2AHDAC3HDAC1
SCHEMBL28408619 0.77 CES1 (0.50) CES1TDP1
SCHEMBL25749243 0.77 MMP2 (0.47) ALDH1A1MAPTKMT2AMEN1

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 ALDH1A1 567/4885MAPT 3784/4885KMT2A 1519/4885
US-20220118435-A1 SYNTHESIS OF ALKYNONES VIA CARBONYLATIVE SONOGASHIRA COUPLING REACTIONS CATALYZED BY PD(II)-N-HETEROCYCLIC CARBENE-PYRIDINE COMPLEXES PDK2, SNCA, YAP1 ALDH1A1 567/4885MAPT 3784/4885KMT2A 1519/4885

“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.