SCHEMBL18201075

SCHEMBL18201075

c1ccc2c(c1)ccc1cc(-c3nc4ccccc4c4c3ccc3ccccc34)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
GRK6 P43250 1/20 0.42
HPRT1 P00492 1/20 0.41
ERBB2 P04626 1/20 0.40
CYP1A2 P05177 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL18200400 0.95 MAPK8 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1LMNA
SCHEMBL18200364 0.94 KDM4E (0.40) ALDH1A1HSD17B10HIF1ACYP1B1LMNA
SCHEMBL18200519 0.94 KDM4E (0.40) ALDH1A1HSD17B10HIF1ACYP1B1LMNA
SCHEMBL18200645 0.94 MAPK8 (0.43) ALDH1A1CYP1B1LMNAMAPTHTT
SCHEMBL18200633 0.92 MAPK8 (0.42) ALDH1A1CYP1B1LMNAMAPTHTT
SCHEMBL17034913 0.89 MAPT (0.46) ALDH1A1CYP1B1LMNAMAPTHTT
SCHEMBL18201079 0.88 LMNA (0.41) ALDH1A1HSD17B10HIF1ACYP1B1LMNA
SCHEMBL18200671 0.88 CYP11B1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1LMNA
SCHEMBL18201033 0.88 ESR1 (0.42) ALDH1A1KDM4EMEN1KMT2AADORA2A
SCHEMBL18200604 0.88 ESR1 (0.42) ALDH1A1KDM4EMEN1KMT2AADORA2A

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 ALDH1A1 85/4885HSD17B10 1689/4885HIF1A 4358/4885

“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.