SCHEMBL3197044

SCHEMBL3197044

Cc1ccc2c(c1)C(O)c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NOTUM Q6P988 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
GLA P06280 1/20 0.30
TNNI3 P19429 1/20 0.30
CRHBP P24387 1/20 0.30
TNNT2 P45379 1/20 0.30
TNNC1 P63316 1/20 0.30
CRHR2 Q13324 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL20284478 0.88 ALDH1A1 (0.35) ALDH1A1SLC6A2SLC6A3MEN1KMT2A
SCHEMBL3209570 0.87 NPC1 (0.32) KDM4EMAPTADAMTS5EGLN1
SCHEMBL3205939 0.84 PDK2 (0.34) PDK2ALDH1A1KDM4ESLC6A2SLC6A4
SCHEMBL3176253 0.75 TP53 (0.34) PDK2ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL10037388 0.75 KDM4E (0.34) KDM4EMEN1KMT2AMAPT
SCHEMBL25880376 0.74 PDK2 (0.43) PDK2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL27413471 0.74 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10LMNAGAA
SCHEMBL20202064 0.73 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAAADAMTS5
SCHEMBL22595704 0.73
SCHEMBL11978700 0.73 PGR (0.41) PDK2ALDH1A1KDM4EHSD17B10LMNA

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-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-05 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-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME OR10J3, ORC3, PIEZO1 PDK2 1245/4885ALDH1A1 738/4885KDM4E 1720/4885

“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.