SCHEMBL17883133

SCHEMBL17883133

Fc1ccc(-c2[nH]c3ccccc3c2-c2ccc(Br)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.70
PTGS2 P35354 10/20 0.63
ESR1 P03372 4/20 0.61
ESR2 Q92731 4/20 0.61
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51

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
SCHEMBL7042862 0.92 MAPK14 (0.81) MAPK14PTGS2ESR1ESR2MAPK13
SCHEMBL18154508 0.88 ESR1 (0.79) MAPK14PTGS2ESR1ESR2MAPK13
SCHEMBL6252381 0.88 ESR1 (0.79) MAPK14PTGS2ESR1ESR2MAPK13
SCHEMBL4887669 0.88 ESR1 (0.79) MAPK14PTGS2ESR1ESR2MAPK13
SCHEMBL17274470 0.86 PTGS2 (0.65) MAPK14PTGS2ESR1ESR2MAPK13
SCHEMBL17883089 0.85 PTGS2 (0.67) MAPK14PTGS2ESR1ESR2
SCHEMBL6646016 0.83 MAPK14 (1.00) MAPK14PTGS2ESR1ESR2MAPK13
SCHEMBL6646025 0.83 MAPK14 (1.00) MAPK14PTGS2ESR1ESR2MAPK13
SCHEMBL18160179 0.80 PTGS2 (0.67) MAPK14PTGS2ESR1ESR2MAPK13
SCHEMBL6342907 0.78 PTGS2 (1.00) PTGS2

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-20180006236-A1 ORGANIC COMPOUNDS AND ELECTRONIC DEVICE COMPRISING ORGANIC LAYER COMPRISING ORGANIC COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-04 US disclosed
WO-2016101865-A1 ORGANIC COMPOUNDS AND ELECTRONIC DEVICE COMPRISING ORGANIC LAYER COMPRISING ORGANIC COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-06-30 WO 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-20180006236-A1 ORGANIC COMPOUNDS AND ELECTRONIC DEVICE COMPRISING ORGANIC LAYER COMPRISING ORGANIC COMPOUNDS OR10J3, OCIAD2, VDAC2 MAPK14 3125/4885PTGS2 3251/4885ESR1 28/4885

“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.