SCHEMBL12680744

SCHEMBL12680744

CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.47
▸ KDM4E B2RXH2 5/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ EGFR P00533 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL11987984 0.98 S1PR1 (0.47) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL13230183 0.96 S1PR1 (0.46) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL13230198 0.96 S1PR1 (0.46) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL11987999 0.95 S1PR1 (0.47) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL11987979 0.93 NPC1 (0.43) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL13230234 0.93 S1PR1 (0.49) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL13230232 0.93 S1PR1 (0.49) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL11987959 0.93 S1PR1 (0.41) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL11987948 0.93 S1PR1 (0.41) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL12680716 0.92 S1PR1 (0.45) S1PR1KDM4ENPC1RAB9AEGFR

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 3942/4885KDM4E 3502/4885NPC1 4534/4885

“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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