SCHEMBL12645539

SCHEMBL12645539

CCCCc1ccc(N(C)c2ccc(N(c3ccc(CCCC)cc3)c3ccc(C(C)(C)CC)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.41
▸ CA2 P00918 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ HPGD P15428 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PLK1 P53350 1/20 0.36
▸ LPL P06858 4/20 0.36
▸ LIPG Q9Y5X9 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL13669712 0.89 RARB (0.44) KCNH2CA2CA1HPGDNPC1
SCHEMBL14942762 0.84 RARB (0.40) KCNH2CA2CA1HPGDNPC1
SCHEMBL3615357 0.84 UCHL3 (0.41) KCNH2CA2CA1NPC1RAB9A
SCHEMBL16610361 0.84 UCHL3 (0.41) KCNH2CA2CA1NPC1RAB9A
SCHEMBL13425901 0.84 CNR2 (0.43) KCNH2CA2CA1HPGDNPC1
SCHEMBL13425909 0.83 CA2 (0.43) KCNH2CA2CA1HPGDNPC1
SCHEMBL16351187 0.82 RARB (0.38) KCNH2CA2CA1NPC1RAB9A
SCHEMBL14157859 0.82 RARB (0.38) KCNH2CA2CA1NPC1RAB9A
SCHEMBL25916996 0.82 CA2 (0.50) CA2CA1HPGDKDM4ELMNA
SCHEMBL14390805 0.81 CNR2 (0.48) CA2CA1LPLLIPGTRPV1

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-20110127516-A1 POLYMER COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) 2011-06-02 — — 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-20110127516-A1 POLYMER COMPOUND AND LIGHT-EMITTING ELEMENT USING SAME RER1, NAP1L1, CRY1 KCNH2 499/4885CA2 3183/4885CA1 2904/4885

“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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