SCHEMBL18200647

SCHEMBL18200647

c1ccc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6cc7c(-c8ccc9ccccc9c8)nc8ccccc8c7c7ccccc67)cc5)cc4)nc(-c4ccccn4)n3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ KLF5 Q13887 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ SIRT2 Q8IXJ6 2/20 0.39
▸ DHODH Q02127 1/20 0.38
▸ ACACA Q13085 4/20 0.38
▸ METAP1 P53582 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18201164 1.00 TSHR (0.43) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL18200526 1.00 TSHR (0.43) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL18200515 1.00 TSHR (0.43) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL18200537 0.99 TSHR (0.41) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL18200811 0.98 TSHR (0.43) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL18200798 0.97 TSHR (0.41) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL18200787 0.97 TSHR (0.43) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL18201010 0.97 TSHR (0.41) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL18200799 0.97 TSHR (0.43) TSHRHSD17B10MAPK1MAPTALDH1A1
SCHEMBL18200790 0.96 TSHR (0.44) TSHRHSD17B10MAPK1MAPTALDH1A1

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 4253/4885HSD17B10 1689/4885MAPK1 4645/4885

“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.

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