SCHEMBL12197827

SCHEMBL12197827

c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3c4ccccc4c4cc(-c5cnc6c(ccc7cccnc76)c5)c5ccccc5c4c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ GRIA1 P42261 1/20 0.34
▸ CACNG8 Q8WXS5 1/20 0.34
▸ CACNG2 Q9Y698 1/20 0.34
▸ MAPK10 P53779 4/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ MDM2 Q00987 1/20 0.32

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
SCHEMBL12197794 0.86 ESR1 (0.43) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12197798 0.86 CCR1 (0.36) MAPTCCR1CCR5CCR8
SCHEMBL12201442 0.81 ESR1 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12197829 0.81 RAB9A (0.34) MEN1KMT2AMAPTALDH1A1HDAC6
SCHEMBL28496983 0.80 ESR1 (0.47) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12197820 0.79 ALDH1A1 (0.42) ESR1ESR2MEN1KMT2AMAPT
SCHEMBL12197805 0.79 KMT2A (0.40) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12197831 0.77 KDM4E (0.33) MEN1KMT2AMAPTALDH1A1CCR1
SCHEMBL14478615 0.77 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12197816 0.77 RAB9A (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8384074-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-02-26 — — US disclosed
US-8384074-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-02-26 — — US disclosed
US-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD (KR) 2011-10-06 — — US disclosed
US-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD (KR) 2011-10-06 — — 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-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, IDO1, NOD1 ESR1 1706/4885ESR2 3516/4885GRIA1 264/4885

“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.

Send feedback