SCHEMBL24330730

SCHEMBL24330730

CC(C)[n+]1cn(C23CC4CC(CC(C4)C2)C3)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
IDO1 P14902 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30

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
SCHEMBL24345245 0.92
SCHEMBL1077286 0.77 TSHR (0.33) TSHRMAPK1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL24345246 0.75
SCHEMBL18236377 0.73
Iodide SCHEMBL17911357 0.65 MEN1 (0.33) MEN1KMT2A
SCHEMBL15353266 0.65 CDK4 (0.38) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL16406998 0.64 ALOX15 (0.35)
SCHEMBL18844450 0.63 CA2 (0.38) KMT2ANPSR1
Bromide SCHEMBL9328086 0.63 KMT2A (0.35) MEN1KMT2ANPSR1
SCHEMBL31142144 0.63 HSD11B1 (0.33) MEN1KMT2ANPSR1MAPK1SMN1; SMN2

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 2 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
WO-2022081953-A1 SYNTHESIS OF ALKYNONES VIA CARBONYLATIVE SONOGASHIRA COUPLING REACTIONS CATALYZED BY PD(II)-N-HETEROCYCLIC CARBENE-PYRIDINE COMPLEXES SAUDI ARABIAN OIL COMPANY (SA) 2022-04-21 WO 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-11691135-B2 Synthesis of alkynones via carbonylative Sonogashira coupling reactions catalyzed by Pd(II)-N-Heterocyclic carbene-pyridine complexes PDK2, SNCA, YAP1 MEN1 1330/4885KMT2A 1519/4885NPSR1 1756/4885

“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.