SCHEMBL13766300

SCHEMBL13766300

Cn1c2ccc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MGAM O43451 4/20 0.39
▸ GAA P10253 4/20 0.39
▸ SI P14410 4/20 0.39
▸ MGAM2 Q2M2H8 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ TP53 P04637 2/20 0.36

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
SCHEMBL13230198 0.90 S1PR1 (0.46) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL13230183 0.90 S1PR1 (0.46) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL11987984 0.89 S1PR1 (0.47) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL12680744 0.89 S1PR1 (0.47) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL11987999 0.89 S1PR1 (0.47) S1PR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL14339145 0.87 S1PR1 (0.52) S1PR1KDM4ENPC1RAB9AMGAM
SCHEMBL10001253 0.87 S1PR1 (0.45) S1PR1KDM4ENPC1RAB9AGAA
SCHEMBL13230234 0.86 S1PR1 (0.49) S1PR1KDM4ENPC1RAB9AGAA
SCHEMBL13230232 0.86 S1PR1 (0.49) S1PR1KDM4ENPC1RAB9AGAA
SCHEMBL13766296 0.86 KDM4E (0.53) S1PR1KDM4ENPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090179552-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS NITTO DENKO CORPORATION (JP) 2009-07-16 — — 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-20090179552-A1 LIGHT EMITTING DEVICES AND COMPOSITIONS CYBA, LIMA1, CRY1 S1PR1 4772/4885KDM4E 4067/4885NPC1 3302/4885

“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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