SCHEMBL17426540

SCHEMBL17426540

O=C(/C=C(\O)C(F)(F)F)c1cccc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSA P10619 1/20 0.34
P2RX7 Q99572 1/20 0.33
TERT O14746 1/20 0.32
CES1 P23141 2/20 0.32
MAPK10 P53779 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL17426525 0.84 ALDH1A1 (0.42) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL17426544 0.79 ALDH1A1 (0.45) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL15500857 0.77 KDM4E (0.33) ALDH1A1KDM4E
SCHEMBL20910130 0.76 ALDH1A1 (0.45) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL29567310 0.76 ALDH1A1 (0.45) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL25497805 0.75 ALDH1A1 (0.46) ALDH1A1HPGDGRM5KDM4EALOX15
Trifluoroacetic Acid SCHEMBL13837126 0.74 ALDH1A1 (0.44) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL23598449 0.73 ALDH1A1 (0.45) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL29940784 0.72 KDM4E (0.70) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL4989 0.72 KDM4E (0.70) ALDH1A1HPGDGRM5KDM4EALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180097189-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-04-05 US disclosed
US-9865826-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-01-09 US disclosed
US-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-01-14 US disclosed
US-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-01-14 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-20180097189-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, CRY1, CYP1A1 ALDH1A1 10/4885HPGD 3175/4885GRM5 1650/4885
US-20160013431-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, CRY1, CYP1A1 ALDH1A1 10/4885HPGD 3175/4885GRM5 1650/4885

“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.