SCHEMBL13820530

SCHEMBL13820530

c1ccc(-c2cccc(-c3c(-c4ccccc4)c4cc5c(-c6ccncc6)c6ccccc6c(-c6ccncc6)c5cc4c4ccccc34)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
MKNK1 Q9BUB5 1/20 0.42
PIK3CA P42336 1/20 0.41
IMPDH2 P12268 2/20 0.40
PRKCI P41743 1/20 0.40
KIF11 P52732 1/20 0.40
CHEK1 O14757 3/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MAPK13 O15264 1/20 0.37
GCGR P47871 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
KDR P35968 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL24662784 0.92 NOTUM (0.58) NOTUMMKNK1PIK3CAIMPDH2PRKCI
SCHEMBL13820313 0.92 NOTUM (0.52) NOTUMMKNK1PIK3CAIMPDH2MAPK14
SCHEMBL22956090 0.90 NOTUM (0.56) NOTUMMKNK1PIK3CAIMPDH2PRKCI
SCHEMBL13820532 0.90 CYP11B1 (0.43) NOTUMMKNK1PIK3CACHEK1HSD17B1
SCHEMBL13820569 0.89 KDM4E (0.42) NOTUMMKNK1PIK3CAIMPDH2HSD17B1
SCHEMBL10030090 0.88 NOTUM (0.52) NOTUMMKNK1PIK3CAIMPDH2PRKCI
SCHEMBL13820711 0.88 HSD17B1 (0.44) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL13820610 0.88 HSD17B1 (0.44) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL18810931 0.88 NOTUM (0.56) NOTUMMKNK1PIK3CAIMPDH2PRKCI
SCHEMBL13820552 0.87 KMT2A (0.42) NOTUMMKNK1PIK3CAIMPDH2CHEK1

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-20120286251-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-15 US disclosed
US-20120286251-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-15 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-20120286251-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, OR51E2 NOTUM 1081/4885MKNK1 3616/4885PIK3CA 4631/4885

“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.