SCHEMBL17686331

SCHEMBL17686331

CCOC(=O)Cc1c(C(=O)OC)n2c3c(cccc13)OCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.53
BCL2L1 Q07817 2/20 0.48
BCL2 P10415 1/20 0.48
EGLN1 Q9GZT9 1/20 0.41
MAPT P10636 3/20 0.38
LMNA P02545 4/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
LIPG Q9Y5X9 2/20 0.34
LIPE Q05469 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL17686346 0.90 MCL1 (0.51) MCL1BCL2L1BCL2EGLN1MAPT
SCHEMBL17686296 0.89 MCL1 (0.64) MCL1BCL2L1BCL2EGLN1MAPT
SCHEMBL17686334 0.83 MCL1 (0.56) MCL1BCL2L1BCL2EGLN1HTR2A
SCHEMBL17686330 0.83 MCL1 (0.54) MCL1BCL2L1BCL2EGLN1HTR2A
SCHEMBL17686297 0.80 MCL1 (0.52) MCL1BCL2L1BCL2MAPTLMNA
SCHEMBL17686289 0.79 MCL1 (0.62) MCL1BCL2L1BCL2EGLN1LIPG
SCHEMBL17686302 0.79 MCL1 (0.53) MCL1BCL2L1BCL2MAPTLMNA
SCHEMBL9303008 0.73 MCL1 (0.54) MCL1BCL2L1BCL2MAPTLMNA
SCHEMBL8694891 0.71 KDM4E (0.67) MCL1BCL2L1BCL2EGLN1LMNA
SCHEMBL17686291 0.70 MCL1 (0.50) MCL1BCL2L1BCL2MAPTLMNA

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-9949965-B2 Tricyclic indole Mcl-1 inhibitors and uses thereof VANDERBILT UNIVERSITY (US) 2018-04-24 US disclosed
US-20160106731-A1 TRICYCLIC INDOLE MCL-1 INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-21 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-20160106731-A1 TRICYCLIC INDOLE MCL-1 INHIBITORS AND USES THEREOF MCL1, BCL2L1, BCL3 MCL1 1/4885BCL2L1 2/4885BCL2 4/4885

“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.