SCHEMBL18457809

SCHEMBL18457809

Cc1ccc2c3c([nH]c2c1Br)CCCC3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.45
MAPT P10636 6/20 0.44
HSD17B10 Q99714 4/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
IKBKB O14920 1/20 0.42
USP2 O75604 1/20 0.42
MAPK10 P53779 1/20 0.42
PARP1 P09874 1/20 0.41
PARP14 Q460N5 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL7024569 0.81 NISCH (0.60) GFERHSD17B10ALOX15KDM4ELMNA
SCHEMBL31447784 0.80 GFER (0.43) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL31447797 0.80 GFER (0.43) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL31447860 0.78 GFER (0.41) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL17115290 0.74 NISCH (0.64) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL17895754 0.72 NISCH (0.62) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL14115028 0.71 GFER (0.55) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL15101419 0.70 GFER (0.46) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL6275705 0.70 NISCH (0.64) GFERMAPTHSD17B10ALOX15MAPK1
SCHEMBL9697371 0.69 PARP1 (0.53) GFERMAPTHSD17B10ALOX15MAPK1

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-20170033300-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-02-02 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-20170033300-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, LEF1, POU2F1 GFER 1533/4885MAPT 1319/4885HSD17B10 2127/4885

“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.