SCHEMBL29601766

SCHEMBL29601766

CCOC(=O)c1[nH]c2c(B3OC(C)(C)C(C)(C)O3)c(C)ccc2c1[C@H](C)CCO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.33
MAPT P10636 4/20 0.33
UCHL1 P09936 1/20 0.32
ALDH1A1 P00352 4/20 0.32
GAA P10253 3/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 5/20 0.31
HPGD P15428 3/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR1F P30939 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
SCHEMBL19635012 1.00 KDM4E (0.33) KDM4EMAPTUCHL1ALDH1A1GAA
SCHEMBL21802248 0.89 MCL1 (0.30) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL19635267 0.86 UCHL1 (0.31) KDM4EUCHL1ALDH1A1HPGD
SCHEMBL29601828 0.86 UCHL1 (0.31) KDM4EUCHL1ALDH1A1HPGD
SCHEMBL29601778 0.83 MCL1 (0.39) KDM4EMAPTALDH1A1NPC1TP53
SCHEMBL19635268 0.83 MCL1 (0.39) KDM4EMAPTALDH1A1NPC1TP53
SCHEMBL19615314 0.82 HTR6 (0.40) KDM4EMAPTUCHL1ALDH1A1GAA
SCHEMBL29602372 0.79 KDM4E (0.38) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL19635266 0.79 KDM4E (0.38) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL19615953 0.76 PRMT5 (0.32) KDM4EMAPTALDH1A1GAASMN1; 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-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP 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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 KDM4E 2131/4885MAPT 2810/4885UCHL1 3420/4885

“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.