SCHEMBL11962325

SCHEMBL11962325

c1ccc2c(c1)ccc1ccc(-c3ccc(Oc4ccc(-c5ccc6ccc7ccccc7c6n5)cc4)cc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NFKB1 P19838 3/20 0.46
▸ NFKB2 Q00653 3/20 0.46
▸ RELA Q04206 3/20 0.46
▸ PARP1 P09874 2/20 0.43
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ AR P10275 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ LTA4H P09960 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GMNN O75496 1/20 0.38

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
SCHEMBL11962342 0.90 NPC1 (0.42) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11962283 0.86 PARP1 (0.42) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL11962279 0.84 RAB9A (0.50) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2913697 0.83 PARP1 (0.53) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29986362 0.83 PARP1 (0.53) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30103579 0.82 PARP1 (0.51) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29035749 0.82 PARP1 (0.51) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL13350118 0.81 MAOA (0.44) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10041709 0.81 CYP1A1 (0.51) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL13350114 0.81 PARP1 (0.41) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9054319-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2015-06-09 — — US disclosed
US-9054319-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2015-06-09 — — US disclosed
US-8759819-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-06-24 — — US disclosed
US-8759819-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-06-24 — — US disclosed
US-20140131680-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-05-15 — — US disclosed
US-20140131680-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2014-05-15 — — US disclosed
US-20120199817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. 2012-08-09 — — US disclosed
US-20120199817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. 2012-08-09 — — US disclosed
US-20100283043-A1 ORGANIC EL ELEMENT IDEMITSU LOSAN CO., LTD. 2010-11-11 — — US disclosed
US-20100283043-A1 ORGANIC EL ELEMENT IDEMITSU LOSAN CO., LTD. 2010-11-11 — — 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-20120199817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FTO, EML4, SLC43A1 NPC1 2352/4885RAB9A 559/4885ALDH1A1 1432/4885

“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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