SCHEMBL2754780

SCHEMBL2754780

CCc1ccc2c(c1)C(=O)c1ccccc1C21c2ccccc2N(c2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 2/20 0.38
BCHE P06276 2/20 0.38
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38
PGR P06401 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
SCHEMBL19007618 0.85 PDK2 (0.47) ALDH1A1MAPTMAPK1NPC1LMNA
SCHEMBL29357946 0.84 GAA (0.51) ALDH1A1MAPTMAPK1NPSR1BCHE
SCHEMBL2754776 0.84 GAA (0.51) ALDH1A1MAPTMAPK1NPSR1BCHE
SCHEMBL2754781 0.84 ALDH1A1 (0.44) ALDH1A1NPSR1BCHECES1CES2
SCHEMBL2754782 0.81 KDM4E (0.42) ALDH1A1MAPTMAPK1NPSR1BCHE
SCHEMBL2754784 0.80 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1NPC1LMNA
SCHEMBL17835055 0.79 LMNA (0.41) ALDH1A1MAPTMAPK1NPC1LMNA
SCHEMBL4399743 0.79 ALDH1A1 (0.41) ALDH1A1MAPK1NPSR1BCHECES1
SCHEMBL24689205 0.78 PGR (0.46) ALDH1A1MAPTMAPK1NPSR1BCHE
SCHEMBL20229418 0.78 ALDH1A1 (0.34) ALDH1A1MAPTMAPK1NPSR1BCHE

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-8632893-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-01-21 US disclosed
US-8632893-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-01-21 US disclosed
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 ALDH1A1 738/4885MAPT 1887/4885MAPK1 1302/4885

“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.