SCHEMBL12680716

SCHEMBL12680716

CC(C)(C)c1ccc2c(c1)c1cc(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)ccc1n2-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.45
▸ NPC1 O15118 10/20 0.42
▸ RAB9A P51151 10/20 0.42
▸ SMN1; SMN2 Q16637 7/20 0.42
▸ HPGD P15428 6/20 0.42
▸ POLB P06746 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40

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
SCHEMBL11987979 0.94 NPC1 (0.43) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13230234 0.94 S1PR1 (0.49) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13230232 0.94 S1PR1 (0.49) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12680744 0.92 S1PR1 (0.47) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17948226 0.91 S1PR1 (0.46) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17948222 0.91 S1PR1 (0.46) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13427110 0.91 S1PR1 (0.47) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13230183 0.91 S1PR1 (0.46) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL10001250 0.91 S1PR1 (0.46) S1PR1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13230198 0.91 S1PR1 (0.46) S1PR1NPC1RAB9ASMN1; SMN2HPGD

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-8273898-B2 Oxadiazole derivative, light-emitting element, display device, lighting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-09-25 — — US disclosed
US-8273898-B2 Oxadiazole derivative, light-emitting element, display device, lighting device, and electronic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-09-25 — — US disclosed
US-20100244669-A1 OXADIAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-30 — — US disclosed
US-20100244669-A1 OXADIAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-09-30 — — 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-20100244669-A1 OXADIAZOLE DERIVATIVE, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, LIGHTING DEVICE, AND ELECTRONIC DEVICE DRD3, DRD2, OXA1L S1PR1 3942/4885NPC1 4534/4885RAB9A 3235/4885

“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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