SCHEMBL13443772

SCHEMBL13443772

CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccn5)ccc3-4)cc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL13443738 0.97 ALDH1A1 (0.32) NPY5RALDH1A1PSEN1PSEN2APH1B
SCHEMBL13443874 0.94 NPY5R (0.31) NPY5RPSEN1PSEN2APH1BNCSTN
SCHEMBL13443768 0.94 ALDH1A1 (0.32) NPY5RALDH1A1MEN1LMNAHPGD
SCHEMBL13443782 0.94 PSEN1 (0.35) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL13443614 0.92 NPY5R (0.38) NPY5RALDH1A1MEN1LMNAHPGD
SCHEMBL13443581 0.91 NPY5R (0.37) NPY5RALDH1A1MEN1LMNAKMT2A
SCHEMBL13443750 0.91 ALDH1A1 (0.32) ALDH1A1KDM4E
SCHEMBL13443588 0.89 NPY5R (0.37) NPY5RALDH1A1MEN1LMNAHPGD
SCHEMBL13443784 0.89 — —
SCHEMBL13443602 0.88 NPY5R (0.37) NPY5RALDH1A1MEN1LMNAHPGD

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-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-18 — — US disclosed
US-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-03-18 — — 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-20100066241-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same IL33, ORMDL3, CCND3 NPY5R 637/4885ALDH1A1 1298/4885PSEN1 3230/4885

“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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