SCHEMBL21392671

SCHEMBL21392671

c1ccc(-c2ccc(-c3ccccc3)c(-c3c4ccccc4c(-c4ccc(-n5c(-c6ccccc6)nc6c(-c7ccc(-c8ccc(-c9c%10ccccc%10c(-c%10ccc(-n%11c(-c%12ccccc%12)nc%12ccccc%12%11)cc%10)c%10ccccc9%10)cc8-c8ccccc8)cc7)cccc65)cc4)c4ccccc34)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
CACNG2 Q9Y698 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
PTGS2 P35354 1/20 0.37
RECQL P46063 1/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 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
SCHEMBL21392588 0.91 ESR1 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL21392670 0.90 MAPK1 (0.44) ESR1ESR2ALDH1A1KDM4E
SCHEMBL21392586 0.89 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL24811887 0.86 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL21392583 0.86 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13999907 0.86 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL18999471 0.86 KMT2A (0.38) ESR1ESR2MEN1KMT2AHSP90AA1
SCHEMBL14000273 0.86 ESR2 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14363283 0.85 ESR1 (0.58) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2604850 0.85 ESR1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 US 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 ESR1 4/4885ESR2 33/4885GRIA1 1310/4885

“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.