SCHEMBL13230232

SCHEMBL13230232

CC(C)(C)c1ccc(-c2nnc(-c3ccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)cc3)o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.49
▸ NPC1 O15118 10/20 0.46
▸ RAB9A P51151 10/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ POLB P06746 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ HPGD P15428 6/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41

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
SCHEMBL13230234 1.00 S1PR1 (0.49) S1PR1NPC1RAB9AKDM4EPOLB
SCHEMBL13230198 0.96 S1PR1 (0.46) S1PR1NPC1RAB9AKDM4EPOLB
SCHEMBL13230183 0.96 S1PR1 (0.46) S1PR1NPC1RAB9AKDM4EPOLB
SCHEMBL11987999 0.95 S1PR1 (0.47) S1PR1NPC1RAB9AKDM4EPOLB
SCHEMBL12680716 0.94 S1PR1 (0.45) S1PR1NPC1RAB9AKDM4EPOLB
SCHEMBL11987984 0.93 S1PR1 (0.47) S1PR1NPC1RAB9AKDM4EPOLB
SCHEMBL12680744 0.93 S1PR1 (0.47) S1PR1NPC1RAB9AKDM4EPOLB
SCHEMBL10001250 0.92 S1PR1 (0.46) S1PR1NPC1RAB9AKDM4EPOLB
SCHEMBL13230206 0.91 NPC1 (0.52) NPC1RAB9AKDM4EPOLBTP53
SCHEMBL1924967 0.91 NPC1 (0.52) NPC1RAB9AKDM4EPOLBTP53

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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