SCHEMBL19618974

SCHEMBL19618974

Cc1ccc2c(C(C)CCO)c(C(=O)O)[nH]c2c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.35
RPA1 P27694 1/20 0.35
GPR35 Q9HC97 2/20 0.34
GPR17 Q13304 3/20 0.34
RHEB Q15382 1/20 0.33
MEN1 O00255 4/20 0.33
POLB P06746 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FBP1 P09467 1/20 0.32
PRNP P04156 1/20 0.32

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
SCHEMBL29602372 0.87 KDM4E (0.38) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL19635266 0.87 KDM4E (0.38) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL21802179 0.83 KDM4E (0.34) MCL1RPA1GPR17MEN1POLB
SCHEMBL19615834 0.77 MCL1 (0.53) MCL1KMT2AKDM4EALDH1A1HPGD
SCHEMBL21802248 0.77 MCL1 (0.30) MCL1RPA1MEN1POLBKMT2A
SCHEMBL29601847 0.73 KDM4E (0.36) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL19635572 0.73 KDM4E (0.36) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL19635710 0.68 MCL1 (0.44) MCL1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29602509 0.68 MCL1 (0.44) MCL1KMT2AKDM4EALDH1A1MAPT
SCHEMBL29601766 0.66 KDM4E (0.33) KDM4EALDH1A1GAAMAPTHPGD

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 5 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
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 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 (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 62/4885RPA1 1852/4885GPR35 1275/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MCL1 56/4885RPA1 1318/4885GPR35 1155/4885

“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.