SCHEMBL13820344

SCHEMBL13820344

c1ccc(-c2cc3ccccc3c3cc4c(-c5cccc(-c6ccncc6)c5)c5ccccc5c(-c5cccc(-c6ccncc6)c5)c4cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
PIK3CA P42336 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
IMPDH2 P12268 1/20 0.41
NOTUM Q6P988 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
TNF P01375 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MPI P34949 1/20 0.39
PRKCI P41743 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MAPK11 Q15759 2/20 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
SCHEMBL13820334 0.92 CYP11B1 (0.50) CYP11B1PIK3CAKDM4EALDH1A1MAPT
SCHEMBL13820337 0.87 CYP11B1 (0.61) CYP11B1PIK3CAKDM4EALDH1A1MAPT
SCHEMBL13820372 0.84 KDM4E (0.45) CYP11B1PIK3CAKDM4EALDH1A1MAPT
SCHEMBL13820530 0.83 NOTUM (0.48) PIK3CAMAPTIMPDH2NOTUMLMNA
SCHEMBL13820569 0.82 KDM4E (0.42) CYP11B1PIK3CAKDM4EALDH1A1MAPT
SCHEMBL24618934 0.81 GPR84 (0.47) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL21250832 0.81 NOTUM (0.50) PIK3CAKDM4EALDH1A1MAPTHPGD
SCHEMBL24492885 0.81 CYP11B1 (0.58) CYP11B1PIK3CAKDM4EALDH1A1MAPT
SCHEMBL27845499 0.81 NOTUM (0.48) CYP11B1PIK3CAKDM4EALDH1A1MAPT
SCHEMBL24662784 0.81 NOTUM (0.58) PIK3CAMAPTIMPDH2NOTUMLMNA

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 CYP11B1 613/4885PIK3CA 4631/4885KDM4E 1591/4885

“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.