SCHEMBL20779043

SCHEMBL20779043

CCCCc1ccc(I)c(CCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TYR P14679 1/20 0.40
HTR1A P08908 1/20 0.40
GPR3 P46089 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APAF1 O14727 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 2/20 0.38

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
SCHEMBL21286979 0.83 SKP2 (0.50) SKP2HPGDMAPK1HTTNPC1
SCHEMBL21286978 0.82 TYR (0.41) SKP2HPGDMAPK1HTTNPC1
SCHEMBL9485320 0.81 SKP2 (0.52) SKP2HPGDMAPK1HTTNPC1
SCHEMBL4421807 0.80 SKP2 (0.61) SKP2HPGDMAPK1HTTNPC1
SCHEMBL28004760 0.79 SKP2 (0.50) SKP2HPGDMAPK1HTTNPC1
SCHEMBL18612926 0.78 NPC1 (0.60) SKP2HPGDMAPK1HTTNPC1
SCHEMBL18378514 0.78 SKP2 (0.46) SKP2HPGDMAPK1HTTNPC1
SCHEMBL27882299 0.78 SKP2 (0.46) SKP2HPGDMAPK1HTTNPC1
SCHEMBL17376656 0.78 TYR (0.39) SKP2MAPK1HTTNPC1RAB9A
SCHEMBL19121076 0.78 TYR (0.43) HTTTYRMAPTTP53CYP3A4

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-20190074458-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-03-07 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-20190074458-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 SKP2 1515/4885HPGD 3526/4885MAPK1 3144/4885

“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.