SCHEMBL11987344

SCHEMBL11987344

c1ccc2ncc(-c3nnc(-c4ccc5cc(-c6nnc(-c7cnc8ccccc8c7)o6)ccc5c4)o3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ PDGFRB P09619 2/20 0.50
▸ PDGFRA P16234 2/20 0.50
▸ PIK3CD O00329 2/20 0.49
▸ PIK3CA P42336 2/20 0.49
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ BIRC5 O15392 1/20 0.46

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
SCHEMBL11987321 0.93 NPC1 (0.54) CYP1A2ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4169352 0.90 BIRC5 (0.54) CYP1A2ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL11987345 0.86 NPC1 (0.51) CYP1A2ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL11987330 0.84 PDGFRB (0.51) CYP1A2ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL11987341 0.84 BIRC5 (0.48) CYP1A2ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL11987656 0.83 PDGFRB (0.46) CYP1A2ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL11987335 0.83 CYP1A2 (0.51) CYP1A2ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL11987327 0.83 PDGFRB (0.47) CYP1A2ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL9195816 0.82 SMN1; SMN2 (0.79) CYP1A2ALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL11987272 0.82 NPC1 (0.50) CYP1A2ALDH1A1HSD17B10SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247087-B2 Compound having oxadiazole ring structure bonded with aromatic heterocyclic ring and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-21 — — US disclosed
US-8247087-B2 Compound having oxadiazole ring structure bonded with aromatic heterocyclic ring and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-21 — — US disclosed
US-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-09-17 — — US disclosed
US-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2009-09-17 — — US disclosed
EP-1932842-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2008-06-18 — — 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-20090230849-A1 COMPOUND HAVING OXADIAZOLE RING STRUCTURE BONDED WITH AROMATIC HETEROCYCLIC RING AND ORGANIC ELECTROLUMINESCENT DEVICE OXA1L, ORC3, OCIAD1 CYP1A2 414/4885ALDH1A1 156/4885HSD17B10 1742/4885

“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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