SCHEMBL13230198

SCHEMBL13230198

CC(C)(C)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.46
▸ NPC1 O15118 9/20 0.43
▸ RAB9A P51151 9/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL13230183 1.00 S1PR1 (0.46) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11987999 0.99 S1PR1 (0.47) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12680744 0.96 S1PR1 (0.47) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11987984 0.96 S1PR1 (0.47) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13230234 0.96 S1PR1 (0.49) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13230232 0.96 S1PR1 (0.49) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11987979 0.94 NPC1 (0.43) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14339145 0.93 S1PR1 (0.52) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11987973 0.93 S1PR1 (0.41) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL12680695 0.92 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EHPGD

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-20100207517-A1 Oxadiazole Derivative, and Light-Emitting Element and Light-Emitting Device Using Oxadiazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-08-19 — — US disclosed
US-20100207517-A1 Oxadiazole Derivative, and Light-Emitting Element and Light-Emitting Device Using Oxadiazole Derivative SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2010-08-19 — — 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-20100207517-A1 Oxadiazole Derivative, and Light-Emitting Element and Light-Emitting Device Using Oxadiazole Derivative OXA1L, DRD3, GRIA1 S1PR1 3542/4885NPC1 4469/4885RAB9A 3441/4885

“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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