SCHEMBL18200418

SCHEMBL18200418

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6nc7ccccc7c7c6ccc6ccccc67)c5)c4)cc(-c4ccccn4)n3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 3/20 0.39
METAP1 P53582 6/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
DHODH Q02127 1/20 0.37
AHR P35869 1/20 0.36
ADORA3 P0DMS8 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL18346959 1.00 TSHR (0.39) TSHRMAPK1HSD17B10CYP2C9METAP1
SCHEMBL18200498 0.97 TSHR (0.41) TSHRMAPK1HSD17B10CYP2C9METAP1
SCHEMBL18201030 0.97 TSHR (0.39) TSHRMAPK1HSD17B10CYP2C9METAP1
SCHEMBL18200413 0.97 TSHR (0.39) TSHRMAPK1HSD17B10CYP2C9METAP1
SCHEMBL18200409 0.97 MAPK1 (0.40) TSHRMAPK1HSD17B10CYP2C9METAP1
SCHEMBL18201255 0.96 TSHR (0.39) TSHRMAPK1HSD17B10CYP2C9METAP1
SCHEMBL18201253 0.96 MAPK1 (0.41) TSHRMAPK1HSD17B10CYP2C9METAP1
SCHEMBL18200490 0.95 TSHR (0.41) TSHRMAPK1HSD17B10CYP2C9METAP1
SCHEMBL18200497 0.95 TSHR (0.41) TSHRMAPK1HSD17B10CYP2C9METAP1
SCHEMBL18201224 0.95 TSHR (0.41) TSHRMAPK1HSD17B10CYP2C9METAP1

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
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-9728731-B2 Heterocyclic compound and organic light emitting device using same HEESUNG MATERIAL LTD. (KR) 2017-08-08 US disclosed
US-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME HEESUNG MATERIAL LTD. (KR) 2016-12-29 US disclosed
EP-3088392-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME Heesung Material Ltd. (KR) 2016-11-02 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-20160380208-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME NOTUM, DDT, CRY1 TSHR 4253/4885MAPK1 4645/4885HSD17B10 1689/4885

“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.