SCHEMBL14298069

SCHEMBL14298069

c1ccc(-n2c(-c3ccc(-c4ccc5ccc6c7ncccc7cc7ccc4c5c76)cc3)nc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ GRIA1 P42261 1/20 0.39
▸ CACNG8 Q8WXS5 1/20 0.39
▸ CACNG2 Q9Y698 1/20 0.39
▸ MAPK10 P53779 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 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
SCHEMBL14330524 0.88 ESR1 (0.41) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14884149 0.88 ESR1 (0.42) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL14330519 0.87 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22963443 0.85 ESR1 (0.45) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13965151 0.85 COMT (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL10041759 0.85 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22963691 0.85 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22963573 0.84 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19818255 0.84 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL22963588 0.84 ESR1 (0.48) 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-2535331-B1 Condensed-Cyclic Compound and Organic Light-Emitting Diode Comprising the Same SAMSUNG DISPLAY CO LTD (KR) 2016-05-11 — — EP disclosed
US-8974921-B2 Condensed-cyclic compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-10 — — US disclosed
US-8974921-B2 Condensed-cyclic compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-10 — — US disclosed
US-20120319086-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-12-20 — — US disclosed
US-20120319086-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-12-20 — — US disclosed
EP-2535331-A1 Condensed-Cyclic Compound and Organic Light-Emitting Diode Comprising the Same Samsung Display Co., Ltd. (KR) 2012-12-19 — — 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-20120319086-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING THE SAME CRY1, CRY2, CCNE2 ESR1 65/4885ESR2 175/4885GRIA1 2251/4885

“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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