SCHEMBL13820577

SCHEMBL13820577

c1cncc(-c2c3ccccc3c(-c3cccnc3)c3cc4c(cc23)c(-c2cccnc2)c(-c2cccc3ccccc23)c2ccccc24)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.54
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TNF P01375 1/20 0.44
GPR84 Q9NQS5 1/20 0.42
CYP11B2 P19099 6/20 0.42
CYP19A1 P11511 3/20 0.42
CYP17A1 P05093 3/20 0.42
BCHE P06276 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP1A1 P04798 2/20 0.40

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
SCHEMBL13820306 0.93 CYP11B1 (0.52) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL13820603 0.91 CYP11B1 (0.48) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL14461162 0.88 ALDH1A1 (0.58) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL13820567 0.84 MAPT (0.46) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL26305535 0.82 TNF (0.57) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL13146170 0.82 CYP11B1 (0.58) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL10300963 0.82 CYP11B1 (0.54) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL9612932 0.81 ALDH1A1 (0.55) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL13820529 0.81 CYP11B1 (0.46) CYP11B1KDM4EALDH1A1MAPTHPGD
SCHEMBL13820407 0.81 CYP11B1 (0.62) CYP11B1KDM4EALDH1A1MAPTHPGD

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 613/4885KDM4E 1591/4885ALDH1A1 20/4885

“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.