SCHEMBL14935457

SCHEMBL14935457

CCC(C)c1ccc(Oc2ccc3c4c(cccc24)C(=O)C3=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 12/20 0.63
▸ BCL2 P10415 8/20 0.63
▸ BCL2L1 Q07817 4/20 0.48
▸ CASP1 P29466 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ABCB1 P08183 2/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ 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
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMARCA2 P51531 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL14935514 0.87 MCL1 (0.60) MCL1BCL2BCL2L1ALDH1A1PRMT1
SCHEMBL14949187 0.81 MCL1 (0.44) MCL1BCL2BCL2L1ALDH1A1PRMT1
SCHEMBL15177181 0.79 MCL1 (0.58) MCL1BCL2BCL2L1ALDH1A1PRMT1
SCHEMBL14935611 0.78 MCL1 (1.00) MCL1BCL2BCL2L1
SCHEMBL14949237 0.78 MCL1 (0.71) MCL1BCL2BCL2L1
SCHEMBL14935682 0.78 MCL1 (1.00) MCL1BCL2BCL2L1
SCHEMBL1198049 0.77 ADORA2A (0.50) MCL1BCL2BCL2L1ALDH1A1PRMT1
SCHEMBL28028227 0.76 MCL1 (0.44) MCL1BCL2BCL2L1ALDH1A1PRMT1
SCHEMBL28028179 0.76 LTA4H (0.44) MCL1BCL2BCL2L1ALDH1A1PRMT1
SCHEMBL14665257 0.75 CARM1 (0.50) MCL1BCL2BCL2L1CASP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614333-B2 Acenaphtho heterocyclic compound and application thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2013-12-24 — — US disclosed
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
US-20130123492-A1 ACENAPHTHO HETEROCYCLIC COMPOUND AND APPLICATION THEREOF DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2013-05-16 — — 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-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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