SCHEMBL29601847

SCHEMBL29601847

CCOC(=O)C[C@@H](C)c1c(C(=O)OCC)[nH]c2c(Br)c(C)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
ALOX15 P16050 5/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 3/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35

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
SCHEMBL19635572 1.00 KDM4E (0.36) KDM4EALOX15ALDH1A1MAPTNPC1
SCHEMBL21802179 0.91 KDM4E (0.34) KDM4EALOX15ALDH1A1MAPTNPC1
SCHEMBL29602372 0.87 KDM4E (0.38) KDM4EALOX15ALDH1A1MAPTNPC1
SCHEMBL19635266 0.87 KDM4E (0.38) KDM4EALOX15ALDH1A1MAPTNPC1
SCHEMBL19635710 0.77 MCL1 (0.44) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL29602509 0.77 MCL1 (0.44) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL19635348 0.77 HTR6 (0.45) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL19618974 0.73 MCL1 (0.35) KDM4EALDH1A1MAPTGAASMN1; SMN2
SCHEMBL19616022 0.73 HTR6 (0.46) KDM4EALOX15ALDH1A1MAPTNPC1
SCHEMBL19635845 0.73 HTR6 (0.46) KDM4EALOX15ALDH1A1MAPTNPC1

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 2131/4885ALOX15 1662/4885ALDH1A1 1451/4885

“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.