SCHEMBL23809359

SCHEMBL23809359

COc1cc(C(=O)O)nc2c(C(C)C)cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
GPR35 Q9HC97 1/20 0.56
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.43
PDE10A Q9Y233 1/20 0.42
RARA P10276 1/20 0.42
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
LPAR1 Q92633 2/20 0.39
SELPLG Q14242 1/20 0.38

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
SCHEMBL6177930 0.88 ALOX15 (0.45) ALOX15GPR35ALDH1A1LMNAKCNK3
SCHEMBL30541959 0.84 ALOX15 (0.68) ALOX15GPR35ALDH1A1PDE10AKDM4E
SCHEMBL30541958 0.84 ALOX15 (0.68) ALOX15GPR35ALDH1A1PDE10AKDM4E
SCHEMBL551212 0.84 ALOX15 (0.68) ALOX15GPR35ALDH1A1PDE10AKDM4E
SCHEMBL1811064 0.83 ALOX15 (0.66) ALOX15GPR35ALDH1A1PDE10AKDM4E
Potassium SCHEMBL1811070 0.83 ALOX15 (0.66) ALOX15GPR35ALDH1A1PDE10AKDM4E
SCHEMBL1815345 0.82 ALOX15 (0.64) ALOX15GPR35ALDH1A1PDE10AKDM4E
SCHEMBL29531273 0.82 ALOX15 (0.64) ALOX15GPR35ALDH1A1PDE10AKDM4E
SCHEMBL30421043 0.81 ALOX15 (0.62) ALOX15GPR35ALDH1A1LMNAPDE10A
SCHEMBL7697377 0.79 LMNA (0.48) ALDH1A1LMNAKCNK3KCNK9KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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 (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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ALOX15 3067/4885GPR35 3148/4885ALDH1A1 2556/4885

“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.