SCHEMBL10057992

SCHEMBL10057992

Cc1cc2cc3c(cc2cc1C)C(=O)c1cc2cc4ccccc4cc2cc1C3=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
ATM Q13315 1/20 0.46
BRD4 O60885 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
ILF3 Q12906 1/20 0.40
MEN1 O00255 1/20 0.40
CDC25B P30305 1/20 0.40
KMT2A Q03164 1/20 0.40
GAPDH P04406 1/20 0.40
PTGS2 P35354 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 2/20 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
SCHEMBL686651 0.98 ELANE (0.48) ELANEATMBRD4NPC1RAB9A
SCHEMBL9429592 0.91 ELANE (0.50) ELANEATMBRD4NPC1RAB9A
SCHEMBL19650718 0.89 ELANE (0.48) ELANEATMBRD4NPC1RAB9A
SCHEMBL10057987 0.89 MEN1 (0.50) ELANENPC1RAB9ABCL2MCL1
SCHEMBL54876 0.89 MEN1 (0.50) ELANENPC1RAB9ABCL2MCL1
SCHEMBL2516264 0.89 MEN1 (0.50) ELANENPC1RAB9ABCL2MCL1
SCHEMBL452078 0.86 ELANE (0.41) ELANEATMBRD4NPC1RAB9A
SCHEMBL27916612 0.84 MAOA (0.50) ELANEATMNPC1RAB9AILF3
SCHEMBL27935063 0.84 MAOA (0.50) ELANEATMNPC1RAB9AILF3
SCHEMBL652915 0.84 MEN1 (0.60) ELANEATMNPC1RAB9ABCL2

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-20120012822-A1 AROMATIC COMPOUND AND METHOD FOR PRODUCING SAME KEIO UNIVERSITY (JP) 2012-01-19 US disclosed
US-20120012822-A1 AROMATIC COMPOUND AND METHOD FOR PRODUCING SAME KEIO UNIVERSITY (JP) 2012-01-19 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-20120012822-A1 AROMATIC COMPOUND AND METHOD FOR PRODUCING SAME CCKBR, CCKAR, NPY2R ELANE 4849/4885ATM 1909/4885BRD4 120/4885

“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.