SCHEMBL13766296

SCHEMBL13766296

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ S1PR1 P21453 2/20 0.49
▸ NR1H4 Q96RI1 1/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ S1PR5 Q9H228 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL13766300 0.86 S1PR1 (0.44) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL21454582 0.86 KIF11 (0.45) KDM4EHPGDMAPTALDH1A1POLB
SCHEMBL13550472 0.84 HPGD (0.50) KDM4ENPC1RAB9AHPGDMAPT
SCHEMBL6296907 0.82 NPC1 (0.72) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL1104799 0.82 NPC1 (0.72) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL13230232 0.81 S1PR1 (0.49) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL13230234 0.81 S1PR1 (0.49) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL12680689 0.81 NPC1 (0.55) KDM4ENPC1RAB9AHPGDMAPT
SCHEMBL2623780 0.80 NPC1 (0.75) KDM4ENPC1RAB9AS1PR1NR1H4
SCHEMBL3293191 0.80 NPC1 (0.75) KDM4ENPC1RAB9AS1PR1NR1H4

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 KDM4E 4067/4885NPC1 3302/4885RAB9A 850/4885

“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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