SCHEMBL22157200

SCHEMBL22157200

N#Cc1cc(-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)c(-n2c3cc(-c4cccc(-c5ccccc5)n4)ccc3c3ccc(-c4cccc(-c5ccccc5)n4)cc32)cc1-c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 4/20 0.34
NPSR1 Q6W5P4 4/20 0.34
RXFP1 Q9HBX9 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL22157197 0.97 CYP11B1 (0.40) CYP11B1CYP11B2HPGDSMN1; SMN2ALDH1A1
SCHEMBL22155894 0.93 CYP11B1 (0.41) CYP11B1CYP11B2HPGDSMN1; SMN2ALDH1A1
SCHEMBL22157199 0.92 CYP11B1 (0.42) CYP11B1CYP11B2HPGDSMN1; SMN2ALDH1A1
SCHEMBL22158519 0.92 CYP11B1 (0.45) CYP11B1CYP11B2HPGDSMN1; SMN2KDM4E
SCHEMBL22158326 0.91 CYP11B1 (0.40) CYP11B1CYP11B2HPGDSMN1; SMN2ALDH1A1
SCHEMBL22157205 0.91 CYP11B1 (0.40) CYP11B1CYP11B2HPGDKDM4ENPSR1
SCHEMBL22157121 0.89 CYP11B1 (0.38) CYP11B1CYP11B2HPGDSMN1; SMN2ALDH1A1
SCHEMBL22158517 0.89 CYP11B1 (0.42) CYP11B1CYP11B2HPGDSMN1; SMN2KDM4E
SCHEMBL22156532 0.87 CYP11B1 (0.42) CYP11B1CYP11B2HPGDSMN1; SMN2MAPK1
SCHEMBL22156567 0.87 ALDH1A1 (0.36) CYP11B1CYP11B2HPGDSMN1; SMN2ALDH1A1

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 531/4885HPGD 2099/4885

“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.