SCHEMBL17686338

SCHEMBL17686338

COC(=O)c1c(CCCO)c2cccc3c2n1CCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.56
BCL2 P10415 2/20 0.56
BCL2L1 Q07817 2/20 0.56
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 6/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 3/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL17686307 0.93 MCL1 (0.53) MCL1BCL2BCL2L1HTR2AHTR2C
SCHEMBL17686291 0.85 MCL1 (0.50) MCL1BCL2BCL2L1HTR2AHTR2C
SCHEMBL17686297 0.83 MCL1 (0.52) MCL1BCL2BCL2L1HTR2AHTR2C
SCHEMBL17686345 0.79 MCL1 (0.56) MCL1BCL2BCL2L1LMNAMAPT
SCHEMBL17686334 0.79 MCL1 (0.56) MCL1BCL2BCL2L1HTR2AHTR2C
SCHEMBL8552561 0.76 MCL1 (0.57) MCL1BCL2BCL2L1HTR2AHTR2C
SCHEMBL9303008 0.76 MCL1 (0.54) MCL1BCL2BCL2L1HTR2AHTR2C
SCHEMBL8559870 0.74 HTR2A (0.76) MCL1BCL2BCL2L1HTR2AHTR2C
SCHEMBL17686350 0.74 MCL1 (0.62) MCL1BCL2BCL2L1HTR2AHTR2C
SCHEMBL8554628 0.72 HTR2A (0.64) MCL1BCL2BCL2L1HTR2AHTR2C

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.