SCHEMBL17686296

SCHEMBL17686296

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

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.64
BCL2 P10415 5/20 0.59
BCL2L1 Q07817 3/20 0.59
EGLN1 Q9GZT9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
LIPG Q9Y5X9 3/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL17686331 0.89 MCL1 (0.53) MCL1BCL2BCL2L1EGLN1KDM4E
SCHEMBL17686289 0.89 MCL1 (0.62) MCL1BCL2BCL2L1EGLN1LIPG
SCHEMBL17686346 0.79 MCL1 (0.51) MCL1BCL2BCL2L1EGLN1ALDH1A1
SCHEMBL17686287 0.79 MCL1 (0.63) MCL1BCL2BCL2L1KDM4EALDH1A1
SCHEMBL17686341 0.78 MCL1 (0.64) MCL1BCL2BCL2L1KDM4EALDH1A1
SCHEMBL17686348 0.74 MCL1 (1.00) MCL1BCL2BCL2L1
SCHEMBL17686316 0.74 MCL1 (1.00) MCL1BCL2BCL2L1
SCHEMBL17686344 0.73 MCL1 (1.00) MCL1BCL2BCL2L1
SCHEMBL17686334 0.72 MCL1 (0.56) MCL1BCL2BCL2L1EGLN1LIPG
SCHEMBL17686330 0.71 MCL1 (0.54) MCL1BCL2BCL2L1EGLN1LIPG

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 1/4885BCL2 4/4885BCL2L1 2/4885

“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.