SCHEMBL17598613

SCHEMBL17598613

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccn5)cc4)c4ccccc4c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.45
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MPI P34949 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
METAP1 P53582 1/20 0.41
TP53 P04637 4/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 3/20 0.41
KLF5 Q13887 2/20 0.41

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
SCHEMBL17829300 0.96 HSD17B10 (0.44) HSD17B10TSHRMAPK1DHODHALDH1A1
SCHEMBL17829313 0.96 HSD17B10 (0.44) HSD17B10TSHRMAPK1DHODHALDH1A1
SCHEMBL17413704 0.96 KDM4E (0.44) HSD17B10TSHRMAPK1DHODHALDH1A1
SCHEMBL23953185 0.93 KDM4E (0.42) HSD17B10TSHRMAPK1DHODHALDH1A1
SCHEMBL18858330 0.93 HSD17B10 (0.47) HSD17B10TSHRMAPK1DHODHALDH1A1
SCHEMBL21099078 0.91 HSD17B10 (0.45) HSD17B10TSHRMAPK1DHODHALDH1A1
SCHEMBL17598591 0.90 HSD17B10 (0.47) HSD17B10TSHRMAPK1DHODHALDH1A1
SCHEMBL21099061 0.89 KDM4E (0.42) HSD17B10TSHRMAPK1DHODHALDH1A1
SCHEMBL17598658 0.88 SMN1; SMN2 (0.43) HSD17B10TSHRMAPK1DHODHALDH1A1
SCHEMBL17829282 0.86 ALDH1A1 (0.42) HSD17B10TSHRMAPK1DHODHALDH1A1

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
EP-2995616-B1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2018-04-25 EP disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
EP-2995616-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2016-03-16 EP 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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 HSD17B10 1853/4885TSHR 3997/4885MAPK1 3143/4885

“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.