SCHEMBL22157197

SCHEMBL22157197

N#Cc1cc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)c(-n2c3ccccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
SQOR Q9Y6N5 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL22157200 0.97 CYP11B1 (0.42) CYP11B1CYP11B2SQORKDM4EHPGD
SCHEMBL22158326 0.94 CYP11B1 (0.40) CYP11B1CYP11B2SQORKDM4EHPGD
SCHEMBL22157205 0.94 CYP11B1 (0.40) CYP11B1CYP11B2SQORKDM4EHPGD
SCHEMBL22158517 0.92 CYP11B1 (0.42) CYP11B1CYP11B2SQORKDM4EHPGD
SCHEMBL22155894 0.92 CYP11B1 (0.41) CYP11B1CYP11B2SQORKDM4EHPGD
SCHEMBL22157199 0.91 CYP11B1 (0.42) CYP11B1CYP11B2SQORKDM4EHPGD
SCHEMBL22156576 0.90 CYP11B1 (0.36) CYP11B1CYP11B2HPGDNPSR1SMN1; SMN2
SCHEMBL22158519 0.89 CYP11B1 (0.45) CYP11B1CYP11B2SQORKDM4EHPGD
SCHEMBL22156531 0.88 CYP11B1 (0.40) CYP11B1CYP11B2SQORKDM4EHPGD
SCHEMBL22156566 0.88 ALDH1A1 (0.34) CYP11B1CYP11B2SQORHPGDNPSR1

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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 CYP11B1 827/4885CYP11B2 531/4885SQOR 302/4885

“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.