SCHEMBL29601778

SCHEMBL29601778

CCOC(=O)c1[nH]c2c(B3OC(C)(C)C(C)(C)O3)c(C)ccc2c1[C@H](C)CCOc1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 10/20 0.39
BCL2 P10415 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
ALB P02768 1/20 0.35
HTR1B P28222 1/20 0.34
BCL2L1 Q07817 1/20 0.34
KDM4E B2RXH2 3/20 0.33
EEF2K O00418 1/20 0.33
MARK3 P27448 1/20 0.33
AXL P30530 1/20 0.33
BCL6 P41182 1/20 0.33
NEK4 P51957 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKAA1 Q13131 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33

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
SCHEMBL19635268 1.00 MCL1 (0.39) MCL1BCL2MAPTSMN1; SMN2NPC1
SCHEMBL21802173 0.92 MCL1 (0.47) MCL1BCL2MAPTSMN1; SMN2ALB
SCHEMBL19615278 0.86 MCL1 (0.53) MCL1BCL2ALBBCL2L1EEF2K
SCHEMBL19635710 0.83 MCL1 (0.44) MCL1BCL2MAPTSMN1; SMN2NPC1
SCHEMBL29602509 0.83 MCL1 (0.44) MCL1BCL2MAPTSMN1; SMN2NPC1
SCHEMBL19635012 0.83 KDM4E (0.33) MAPTSMN1; SMN2NPC1RAB9AHTR1B
SCHEMBL29601766 0.83 KDM4E (0.33) MAPTSMN1; SMN2NPC1RAB9AHTR1B
SCHEMBL29601828 0.80 UCHL1 (0.31) KDM4EALDH1A1HPGD
SCHEMBL19635267 0.80 UCHL1 (0.31) KDM4EALDH1A1HPGD
SCHEMBL22436794 0.78 MCL1 (0.49) MCL1BCL2ALBBCL2L1EEF2K

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 MCL1 54/4885BCL2 624/4885MAPT 2810/4885

“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.