SCHEMBL21648537

SCHEMBL21648537

COc1ccc2[nH]c3c(c2c1)CCN1[C@H]3CO[C@@]2(C)C=CC(=O)C[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.46
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ MAPKAPK5 Q8IW41 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ KCNH2 Q12809 3/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL21648540 1.00 MAPKAPK2 (0.46) MAPKAPK2MAPTTP53ALDH1A1HTR2B
SCHEMBL21648505 1.00 MAPKAPK2 (0.46) MAPKAPK2MAPTTP53ALDH1A1HTR2B
SCHEMBL21648535 0.85 CHRNA7 (0.42) MAPTSMN1; SMN2ABCG2CYP1A2ADRA1A
SCHEMBL21648518 0.85 CHRNA7 (0.42) MAPTSMN1; SMN2ABCG2CYP1A2ADRA1A
SCHEMBL21648536 0.85 CHRNA7 (0.42) MAPTSMN1; SMN2ABCG2CYP1A2ADRA1A
SCHEMBL21648506 0.80 MAPKAPK2 (0.46) MAPKAPK2MAPTTP53ALDH1A1HTR2B
SCHEMBL21648504 0.80 MAPKAPK2 (0.46) MAPKAPK2MAPTTP53ALDH1A1HTR2B
SCHEMBL14363770 0.77 MAPT (0.54) MAPKAPK2MAPTTP53ALDH1A1HTR2B
SCHEMBL14363777 0.74 MAPT (0.51) MAPKAPK2MAPTTP53ALDH1A1HTR2B
SCHEMBL14363774 0.74 MAPKAPK2 (0.50) MAPKAPK2MAPTTP53ALDH1A1HTR2B

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-20210179605-A1 Discovery of Novel First in Class Nature-Inspired Compounds Targeting the Mitochondrial Function and Pharmaceutical Composition Thereof UNIVERSITY OF SHARJAH (AE) 2021-06-17 — — US disclosed
WO-2020021489-A2 DISCOVERY OF NOVEL FIRST IN CLASS NATURE-INSPIRED COMPOUNDS TARGETING THE MITOCHONDRIAL FUNCTION AND PHARMACEUTICAL COMPOSITION THEREOF UNIVERSITY OF SHARJAH (AE) 2020-01-30 — — 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-20210179605-A1 Discovery of Novel First in Class Nature-Inspired Compounds Targeting the Mitochondrial Function and Pharmaceutical Composition Thereof NDUFAB1, TFAM, CS MAPKAPK2 2630/4885MAPT 3368/4885TP53 247/4885

“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.

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