SCHEMBL4891587

SCHEMBL4891587

Fc1ccc2c3ccc4ccccc4c3c3c4ccccc4c(F)c(F)c3c2c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.46
HSD17B10 Q99714 4/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2A6 P11509 1/20 0.37
CYP1A2 P05177 3/20 0.36
THRB P10828 1/20 0.36
AHR P35869 3/20 0.34
ERBB2 P04626 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL28969713 0.93 HPRT1 (0.48) HPRT1HSD17B10TSHRHPGDL3MBTL1
SCHEMBL26190016 0.79 HSD17B10 (0.48) HPRT1HSD17B10TSHRHPGDL3MBTL1
SCHEMBL4891582 0.79 HPRT1 (0.52) HPRT1HSD17B10TSHRHPGDL3MBTL1
SCHEMBL30300180 0.79 HPRT1 (0.38) HPRT1HSD17B10HPGDALDH1A1CYP1A2
SCHEMBL28294979 0.75 HPRT1 (0.50) HPRT1HSD17B10TSHRHPGDL3MBTL1
SCHEMBL30257704 0.75 HPRT1 (0.64) HPRT1HSD17B10TSHRHPGDHIF1A
SCHEMBL30257875 0.75 HPRT1 (0.50) HPRT1HSD17B10TSHRHPGDL3MBTL1
SCHEMBL26190035 0.75 HPRT1 (0.64) HPRT1HSD17B10TSHRHPGDHIF1A
SCHEMBL8968929 0.74 HPRT1 (0.68) HPRT1HSD17B10TSHRHPGDL3MBTL1
SCHEMBL11299922 0.74 HPRT1 (0.60) HPRT1HSD17B10TSHRHPGDL3MBTL1

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-20080226940-A1 DIBENZO[C,G]TRIPHENYLENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2008-09-18 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-20080226940-A1 DIBENZO[C,G]TRIPHENYLENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME JUP, EED, L1CAM HPRT1 1374/4885HSD17B10 3839/4885TSHR 4579/4885

“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.