SCHEMBL17686334

SCHEMBL17686334

COC(=O)c1c(CCCO)c2cccc3c2n1CCO3

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 11/20 0.56
BCL2 P10415 6/20 0.56
BCL2L1 Q07817 3/20 0.56
EGLN1 Q9GZT9 1/20 0.42
LIPG Q9Y5X9 3/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CYP4A11 Q02928 2/20 0.35
CYP4F2 P78329 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
SCHEMBL17686330 0.93 MCL1 (0.54) MCL1BCL2BCL2L1EGLN1LIPG
SCHEMBL17686346 0.85 MCL1 (0.51) MCL1BCL2BCL2L1EGLN1LIPG
SCHEMBL17686331 0.83 MCL1 (0.53) MCL1BCL2BCL2L1EGLN1LIPG
SCHEMBL17686338 0.79 MCL1 (0.56) MCL1BCL2BCL2L1HTR2AHTR2C
SCHEMBL17686345 0.78 MCL1 (0.56) MCL1BCL2BCL2L1LIPG
SCHEMBL17686289 0.74 MCL1 (0.62) MCL1BCL2BCL2L1EGLN1LIPG
SCHEMBL17686348 0.72 MCL1 (1.00) MCL1BCL2BCL2L1
SCHEMBL17686316 0.72 MCL1 (1.00) MCL1BCL2BCL2L1
SCHEMBL17686307 0.72 MCL1 (0.53) MCL1BCL2BCL2L1HTR2AHTR2C
SCHEMBL17686296 0.72 MCL1 (0.64) 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.