SCHEMBL18136553

SCHEMBL18136553

Cn1c2ccc(N3c4ccccc4Oc4ccccc43)cc2c2cc(N3c4ccccc4Oc4ccccc43)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ P2RX4 Q99571 8/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PABPC1 P11940 1/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL12117309 0.97 KDM4E (0.36) GPR3KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL18056702 0.95 GPR3 (0.47) GPR3KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL14073457 0.88 GPR3 (0.36) GPR3KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL17381254 0.83 KDM4E (0.44) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL16696176 0.83 MEN1 (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6123861 0.83 L3MBTL1 (0.43) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL13427220 0.82 P2RX4 (0.36) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL12117311 0.80 L3MBTL1 (0.41) KDM4EALDH1A1L3MBTL1HPGDHSD17B10
SCHEMBL17381320 0.80 MAPT (0.51) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL16696175 0.80 MEN1 (0.46) MAPTALDH1A1HPGDMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 — — US disclosed
US-20160301015-A1 LIGHT-EMITTING COMPOUNDS FOR LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2016-10-13 — — 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 (2 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-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 GPR3 2683/4885KDM4E 2444/4885MAPT 609/4885
US-20160301015-A1 LIGHT-EMITTING COMPOUNDS FOR LIGHT-EMITTING DEVICES CRY1, ALDH1A2, CRY2 GPR3 2778/4885KDM4E 3735/4885MAPT 970/4885

“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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