SCHEMBL13443620

SCHEMBL13443620

CC1(C)c2cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)s3)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccn4)s3)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ PRF1 P14222 7/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31

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
SCHEMBL13443614 0.91 NPY5R (0.38) NPY5RALDH1A1PDK2KDM4EMAPT
SCHEMBL13443588 0.90 NPY5R (0.37) NPY5RALDH1A1PDK2KDM4EMAPT
SCHEMBL13443581 0.90 NPY5R (0.37) NPY5RALDH1A1PDK2KDM4EMAPT
SCHEMBL13443692 0.88 PDK2 (0.36) NPY5RALDH1A1PRF1PDK2KDM4E
SCHEMBL13443784 0.88 — —
SCHEMBL13443602 0.87 NPY5R (0.37) NPY5RALDH1A1PDK2KDM4ENPC1
SCHEMBL13463377 0.86 — —
SCHEMBL13443689 0.85 PDK2 (0.34) NPY5RALDH1A1PDK2KDM4EMAPT
SCHEMBL13443772 0.84 NPY5R (0.34) NPY5RALDH1A1KDM4E
SCHEMBL12109612 0.84 ALDH1A1 (0.33) NPY5RALDH1A1PDK2

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-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 1298/4885PRF1 3939/4885

“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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