SCHEMBL21114099

SCHEMBL21114099

CNCCCCOc1ccccc1-c1ccc(Br)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
SLC6A4 P31645 3/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.41
HRH1 P35367 2/20 0.41
ADRB2 P07550 2/20 0.40
L3MBTL4 Q8NA19 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL21114190 0.84 FEN1 (0.46) KDM4ETP53L3MBTL1ALOX5APFEN1
SCHEMBL21163425 0.78 SLC6A4 (0.40) SLC6A4TP53CYP1A2CYP3A4CYP2C9
SCHEMBL11662853 0.78 KDM4E (0.70) KDM4ESLC6A4TP53CYP1A2CYP3A4
SCHEMBL21163139 0.78 KDM4E (0.40) KDM4ESLC6A4TP53CYP1A2CYP3A4
SCHEMBL27844311 0.76 KDM4E (0.67) KDM4ESLC6A4TP53L3MBTL1ALDH1A1
SCHEMBL21113937 0.76 L3MBTL1 (0.51) KDM4ESLC6A4TP53CYP1A2CYP3A4
SCHEMBL21114181 0.75 ALOX5AP (0.39) KDM4ESLC6A4ALOX5APFEN1
SCHEMBL21114065 0.75 PTPRC (0.55) KDM4ETP53TSHRL3MBTL1ALOX5AP
SCHEMBL21114098 0.74 ALOX5AP (0.42) KDM4ESLC6A4TP53CYP1A2CYP3A4
SCHEMBL21113978 0.74 L3MBTL1 (0.50) KDM4ESLC6A4TP53L3MBTL1LMNA

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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 KDM4E 4784/4885SLC6A4 3466/4885TP53 4600/4885

“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.