SCHEMBL14949187

SCHEMBL14949187

CC(C)Cc1ccc(Oc2ccc3c4c(cccc24)C(=O)C3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 14/20 0.44
▸ BCL2 P10415 10/20 0.44
▸ BCL2L1 Q07817 4/20 0.44
▸ PRMT1 Q99873 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PABPC1 P11940 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMARCA2 P51531 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38

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
SCHEMBL14935514 0.82 MCL1 (0.60) MCL1BCL2BCL2L1PRMT1KDM4E
SCHEMBL28028179 0.82 LTA4H (0.44) MCL1BCL2BCL2L1PRMT1KDM4E
SCHEMBL28834355 0.81 MCL1 (0.41) MCL1BCL2BCL2L1PRMT1KDM4E
SCHEMBL29151801 0.81 LTA4H (0.42) MCL1BCL2BCL2L1PRMT1KDM4E
SCHEMBL14935457 0.81 MCL1 (0.63) MCL1BCL2BCL2L1PRMT1KDM4E
SCHEMBL15177181 0.80 MCL1 (0.58) MCL1BCL2BCL2L1PRMT1KDM4E
Bromide SCHEMBL28952170 0.80 LTA4H (0.41) MCL1BCL2BCL2L1PRMT1KDM4E
SCHEMBL29151807 0.80 MCL1 (0.40) MCL1BCL2BCL2L1PRMT1KDM4E
SCHEMBL29151803 0.80 MCL1 (0.40) MCL1BCL2BCL2L1PRMT1KDM4E
Bromide SCHEMBL28834308 0.79 MCL1 (0.39) MCL1BCL2BCL2L1PRMT1KDM4E

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-20130123492-A1 ACENAPHTHO HETEROCYCLIC COMPOUND AND APPLICATION THEREOF DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2013-05-16 — — US disclosed
US-20130123492-A1 ACENAPHTHO HETEROCYCLIC COMPOUND AND APPLICATION THEREOF DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2013-05-16 — — US disclosed
CN-102321012-A Acenaphthene heterocyclic compound and application thereof UNIV DALIAN TECH 2012-01-18 — — CN 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-20130123492-A1 ACENAPHTHO HETEROCYCLIC COMPOUND AND APPLICATION THEREOF MCL1, BCL2L1, BCL2 MCL1 1/4885BCL2 3/4885BCL2L1 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.

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