SCHEMBL20173218

SCHEMBL20173218

Cc1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 1/20 0.42
HPGDS O60760 1/20 0.41
PDK2 Q15119 1/20 0.40
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
FFAR2 O15552 1/20 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
SCHEMBL12359218 0.86 NPC1 (0.50) NPC1RAB9APKMHPGDSPDK2
SCHEMBL538283 0.86 NPC1 (0.50) NPC1RAB9APKMHPGDSPDK2
SCHEMBL19741484 0.82 RAB9A (0.43) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL17051516 0.81 HPGDS (0.54) NPC1RAB9APKMHPGDSPDK2
SCHEMBL2005519 0.78 ALDH1A1 (0.47) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL3292244 0.78 ALDH1A1 (0.47) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL15975759 0.78 ALDH1A1 (0.47) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL676678 0.78 HPGDS (0.56) NPC1RAB9APKMHPGDSPDK2
SCHEMBL3290479 0.78 HPGDS (0.46) NPC1RAB9AHPGDSNFKB1NFKB2
SCHEMBL22156067 0.77 RAB9A (0.47) NPC1RAB9ANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (2 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 NPC1 3214/4885RAB9A 3113/4885PKM 4065/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 NPC1 3214/4885RAB9A 3113/4885PKM 4065/4885

“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.