SCHEMBL4891582

SCHEMBL4891582

Fc1c(F)c(F)c2c3ccc4ccccc4c3c3c4ccccc4ccc3c2c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.52
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
CYP2A6 P11509 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
RAB9A P51151 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 3/20 0.41
CYP1B1 Q16678 1/20 0.41
THRB P10828 1/20 0.41
AHR P35869 3/20 0.38
ERBB2 P04626 1/20 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
SCHEMBL30257875 0.86 HPRT1 (0.50) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL28969713 0.86 HPRT1 (0.48) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL11299922 0.80 HPRT1 (0.60) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL3341788 0.80 HPRT1 (0.67) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL4891587 0.79 HPRT1 (0.46) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL4851944 0.78 HPRT1 (0.65) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL1038972 0.78 HPRT1 (0.72) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL29697319 0.78 HPRT1 (0.72) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL4851875 0.76 HSD17B10 (0.71) HPRT1HSD17B10ALDH1A1TSHRCYP2A6
SCHEMBL8968929 0.75 HPRT1 (0.68) HPRT1HSD17B10ALDH1A1TSHRCYP2A6

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 3839/4885ALDH1A1 954/4885

“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.