SCHEMBL17655972

SCHEMBL17655972

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)cc5c4)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
GRIA1 P42261 1/20 0.46
CACNG8 Q8WXS5 1/20 0.46
CACNG2 Q9Y698 1/20 0.46
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTGS2 P35354 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
HSP90AA1 P07900 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NTSR1 P30989 1/20 0.41
HPGD P15428 1/20 0.41
SIRT2 Q8IXJ6 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
SCHEMBL17655979 1.00 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL17655867 0.94 ESR1 (0.57) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19397414 0.93 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15172059 0.91 ESR2 (0.63) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19369871 0.91 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19397529 0.91 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL15172058 0.90 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22310189 0.90 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL21158000 0.90 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19369870 0.90 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3002282-B1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2019-01-02 EP disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-9882145-B2 Hetero ring compound and organic light emitting diode comprising same LG CHEM, LTD. (KR) 2018-01-30 US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 US disclosed
US-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-05-19 US disclosed
EP-3002282-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2016-04-06 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-20160141514-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 ESR1 31/4885ESR2 180/4885GRIA1 2839/4885

“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.