SCHEMBL21967012

SCHEMBL21967012

CCc1cc(C)cn1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 2/20 0.40
NOTUM Q6P988 1/20 0.39
KMT2A Q03164 2/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNG1 Q06432 1/20 0.39

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
SCHEMBL25392665 0.83 USP2 (0.37) HPGDBRD4KMT2AKDM4EMEN1
SCHEMBL28329745 0.81 CCNC (0.43) HPGDBRD4LMNATP53SMN1; SMN2
SCHEMBL19007019 0.79 KLKB1 (0.46) HPGDLMNAPOLBTP53NOTUM
SCHEMBL22607348 0.75 HSP90AA1 (0.42) HPGDLMNAPOLBTP53NOTUM
SCHEMBL28490095 0.74 HPGD (0.51) HPGDBRD4POLBTP53KMT2A
SCHEMBL3195611 0.72 HDAC8 (0.49) BRD4LMNAPOLBTP53NOTUM
SCHEMBL29001267 0.71 MAPK10 (0.51) HPGDBRD4KMT2AKDM4EMEN1
SCHEMBL16705179 0.70 IDH1 (0.36) IDH1
SCHEMBL1562627 0.70 SMN1; SMN2 (0.54) LMNAPOLBKDM4ESMN1; SMN2P2RX7
SCHEMBL4359364 0.70 PTGS2 (0.47) LMNAPOLBKMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 US disclosed
US-11208415-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-12-28 US disclosed
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2020-05-07 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 (3 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-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 HPGD 3158/4885BRD4 38/4885LMNA 3060/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 HPGD 3158/4885BRD4 38/4885LMNA 3060/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 HPGD 3158/4885BRD4 38/4885LMNA 3060/4885

“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.