SCHEMBL23977315

SCHEMBL23977315

CC(=O)Oc1ccc(C#N)cc1C#C[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.40
MAOB P27338 1/20 0.37
NCEH1 Q6PIU2 2/20 0.36
DYRK1A Q13627 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 1/20 0.35
CFD P00746 1/20 0.35
FFAR1 O14842 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
GAPDH P04406 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL30225422 1.00 PTGDR2 (0.40) PTGDR2MAOBNCEH1DYRK1AKDM4E
SCHEMBL13860511 0.81 KDM4E (0.46) KDM4EALDH1A1GAATSHRRAB9A
SCHEMBL1798639 0.81 AR (0.44) PTGDR2DYRK1AKDM4EALDH1A1AR
SCHEMBL3536980 0.81 PTGDR2 (0.51) PTGDR2MAOBKDM4EALDH1A1GAA
SCHEMBL25909467 0.81 PTGDR2 (0.41) PTGDR2MAOBNCEH1KDM4EALDH1A1
SCHEMBL3716615 0.80 PTGDR2 (0.63) PTGDR2
SCHEMBL13864994 0.78 KDM4E (0.41) PTGDR2KDM4EGAARAB9AMAPT
SCHEMBL7067974 0.77 TSHR (0.53) PTGDR2MAOBNCEH1KDM4EALDH1A1
SCHEMBL1367990 0.76 PTGDR2 (0.38) PTGDR2FFAR1
SCHEMBL24227107 0.76 CA12 (0.41) KDM4EALDH1A1GAATSHRRAB9A

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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
WO-2021219813-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2021-11-04 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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 PTGDR2 4418/4885MAOB 916/4885NCEH1 3412/4885

“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.