SCHEMBL22482060

SCHEMBL22482060

O=CCc1cccc2c1[nH]c1c(CC=O)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.47
PIM3 Q86V86 5/20 0.47
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
FEN1 P39748 1/20 0.34
PARP1 P09874 1/20 0.32
STING1 Q86WV6 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL22482014 0.79 GABRA1 (0.47) PIM1PIM3ALDH1A1LMNACDK5
SCHEMBL720557 0.72 CYP1A2 (0.52) ALDH1A1HTT
SCHEMBL22482031 0.72 PIM1 (0.36) PIM1PIM3ALDH1A1LMNA
SCHEMBL7461135 0.71 TDP1 (0.38) ALDH1A1LMNAHTT
SCHEMBL3111048 0.71 CYP1A2 (0.50) ALDH1A1HTT
SCHEMBL3120097 0.71 CYP1A2 (0.50) ALDH1A1HTT
SCHEMBL3119880 0.71 CYP1A2 (0.50) ALDH1A1HTT
SCHEMBL28755886 0.71 AHR (0.46) AHR
SCHEMBL1759301 0.69 PARP1 (0.40) PIM1PIM3ALDH1A1PARP1HTT
SCHEMBL13462948 0.69 CDK2 (0.41) ALDH1A1LMNAPARP1TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES THE UNIVERSITY OF SOUTHERN CALIFORNIA 2020-10-01 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-20200308196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, SOD1, EML4 PIM1 1364/4885PIM3 1136/4885ALDH1A1 2290/4885

“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.