SCHEMBL21802248

SCHEMBL21802248

Cc1ccc2c(C(C)CCO)c(C(=O)O)[nH]c2c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.30

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RPA1 P27694 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
SCHEMBL29601766 0.89 KDM4E (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL19635012 0.89 KDM4E (0.33) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL19615953 0.83 PRMT5 (0.32) MCL1KDM4EMEN1ALDH1A1POLB
SCHEMBL21802173 0.81 MCL1 (0.47) MCL1KDM4EMEN1ALDH1A1POLB
SCHEMBL19618974 0.77 MCL1 (0.35) MCL1KDM4EMEN1ALDH1A1POLB
SCHEMBL19635267 0.75 UCHL1 (0.31) KDM4EALDH1A1HPGD
SCHEMBL29601828 0.75 UCHL1 (0.31) KDM4EALDH1A1HPGD
SCHEMBL19635268 0.72 MCL1 (0.39) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL29601778 0.72 MCL1 (0.39) MCL1KDM4EALDH1A1MAPTHPGD
SCHEMBL19615314 0.72 HTR6 (0.40) KDM4EMEN1ALDH1A1GAAMAPT

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
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US 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 (2 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-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 MCL1 62/4885KDM4E 1858/4885MEN1 114/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MCL1 56/4885KDM4E 2044/4885MEN1 140/4885

“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.