SCHEMBL3323664

SCHEMBL3323664

SCCCOc1cc(-c2ccc(Cl)c(Cl)c2)ccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.42
CYP1B1 Q16678 1/20 0.38
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
IDO1 P14902 1/20 0.33
KMO O15229 1/20 0.33
DHFR P00374 1/20 0.32
NOTUM Q6P988 1/20 0.32
HTR2C P28335 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
SLC6A4 P31645 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3094209 0.87 AHR (0.48) AHRCYP1B1PDGFRBPDGFRAIDO1
SCHEMBL3111469 0.83 AHR (0.44) AHRCYP1B1PDGFRBPDGFRAALDH1A1
SCHEMBL3328928 0.77 AGXT (0.38) SLC6A4
SCHEMBL3322520 0.72 FFAR1 (0.44) LMNAKDM4ETDP1NPC1RAB9A
SCHEMBL3322865 0.71 PPARD (0.39) SLC6A4KMT2AUTS2R
SCHEMBL3323835 0.69 L3MBTL1 (0.37) ALDH1A1LMNAKDM4ESLC6A4KMT2A
SCHEMBL29769221 0.65 AHR (1.00) AHRCYP1B1KMONOTUMALDH1A1
SCHEMBL137915 0.65 AHR (1.00) AHRCYP1B1KMONOTUMALDH1A1
SCHEMBL31336824 0.64 PPARG (0.35) MEN1NPC1KMT2ASMN1; SMN2
SCHEMBL4451807 0.63 RAB9A (0.51) KMOALDH1A1LMNAKDM4ETDP1

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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 AHR 205/4885CYP1B1 736/4885PDGFRB 3688/4885

“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.