SCHEMBL17246786

SCHEMBL17246786

CCCCOc1ccc(C=C(Br)Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
AHR P35869 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NR5A1 Q13285 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLA2G4A P47712 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL17080933 0.93 MEN1 (0.59) LTA4HAHRMEN1KMT2AABCG2
SCHEMBL16288430 0.85 NQO1 (0.56) LTA4HAHRKMT2ARAB9ATP53
SCHEMBL11854557 0.79 ESR1 (0.52) LTA4HAHRMEN1KMT2ANR5A1
SCHEMBL14198010 0.79 NR5A1 (0.61) LTA4HNR5A1PLA2G4AGAARAB9A
SCHEMBL9915594 0.78 AHR (0.73) LTA4HAHRMEN1KMT2AABCG2
SCHEMBL8713169 0.78 MAPT (0.39) AHRMEN1KMT2ACYP1A2TSHR
SCHEMBL19994224 0.77 TP53 (0.53) ABCG2PLA2G4ATP53TSHR
SCHEMBL14964565 0.77 MAPT (0.62) LTA4HAHRMEN1KMT2ANR5A1
SCHEMBL9625283 0.77 CYP2D6 (0.53) LTA4HAHRMEN1KMT2ANR5A1
SCHEMBL141697 0.77 KDM4E (0.53) ABCG2PLA2G4ATP53TSHR

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-20160143878-A1 ANTIBACTERIAL AGENT JUNTENDO EDUCATIONAL FOUNDATION (JP) 2016-05-26 US disclosed
US-20150322033-A1 ANTIBACTERIAL AGENT JUNTENDO EDUCATIONAL FOUNDATION (JP) 2015-11-12 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 (2 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-20160143878-A1 ANTIBACTERIAL AGENT MRPL21, Q6ZSR9, NQO2 LTA4H 2135/4885AHR 446/4885MEN1 4060/4885
US-20150322033-A1 ANTIBACTERIAL AGENT Q6ZSR9, MRPL21, NQO2 LTA4H 2129/4885AHR 377/4885MEN1 4104/4885

“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.