SCHEMBL9974977

SCHEMBL9974977

Clc1cc(Cl)c(I)cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
AHR P35869 3/20 0.39
MAPK1 P28482 2/20 0.39
FLT1 P17948 1/20 0.37
TSHR P16473 4/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CASP1 P29466 1/20 0.35
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
NR1I2 O75469 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
TACR2 P21452 1/20 0.31
DRD1 P21728 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
SCHEMBL7594519 0.89 AHR (0.44) CYP3A4AHRMAPK1FLT1TSHR
SCHEMBL9250961 0.88 AHR (0.39) CYP3A4AHRMAPK1FLT1TSHR
SCHEMBL1425452 0.78 HSD17B10 (0.60) CYP3A4MAPK1TSHRHPGDHSD17B10
SCHEMBL22560903 0.78 HSD17B10 (0.46) CYP3A4MAPK1TSHRHPGDHSD17B10
SCHEMBL16555486 0.78 GAA (0.50) CYP3A4AHRMAPK1FLT1TSHR
SCHEMBL24928201 0.78 CD44 (0.46) CYP3A4AHRMAPK1GAAALDH1A1
SCHEMBL21856930 0.74 CD44 (0.36) CYP3A4AHRFLT1ALDH1A1
SCHEMBL2264764 0.74 GAA (0.53) CYP3A4AHRMAPK1FLT1TSHR
SCHEMBL30490095 0.74 GAA (0.53) CYP3A4AHRMAPK1FLT1TSHR
SCHEMBL22560907 0.73 TRPV4 (0.43) MAPK1ALDH1A1

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-20230113459-A1 LIGHT EMITTING DIODE SAMSUNG DISPLAY CO., LTD. (KR) 2023-04-13 US disclosed
WO-2012081541-A1 1, 2, 4, 5-SUBSTITUTED PHENYL DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 (JP) 2012-06-21 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-20230113459-A1 LIGHT EMITTING DIODE CRY1, LAGE3, CYBA CYP3A4 2086/4885AHR 2284/4885MAPK1 724/4885

“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.