SCHEMBL10068039

SCHEMBL10068039

CCOP(=O)(CC[n+]1ccc(-c2cc[n+](Cc3cccc(C[n+]4ccc(-c5cc[n+](Cc6nc7ccccc7[nH]6)cc5)cc4)n3)cc2)cc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.41
▸ PON1 P27169 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ TOP2A P11388 1/20 0.34
▸ SLC40A1 Q9NP59 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL10068037 0.85 POLB (0.39) DDAH1PON1HSD17B10MAPTPKM
SCHEMBL10067622 0.79 MEN1 (0.47) MAPTKMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL12601641 0.78 DDAH1 (0.44) DDAH1PON1HSD17B10MAPTPKM
SCHEMBL13851329 0.72 ALDH1A1 (0.50) PKMALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL10067724 0.70 KDM4E (0.53) DDAH1PON1HSD17B10PKMALDH1A1
SCHEMBL12468180 0.68 PON1 (0.46) DDAH1PON1PKMPOLBTOP2A
SCHEMBL10067621 0.68 NEK2 (0.41) HSD17B10MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL10067619 0.64 KMT2A (0.50) MAPTKMT2ASMN1; SMN2KDM4ETSHR
SCHEMBL13851325 0.64 CHKA (0.53) ALDH1A1SMN1; SMN2LMNA
Bromide SCHEMBL31354627 0.63 MEN1 (0.46) MAPTKMT2ASMN1; SMN2KDM4ETSHR

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-20120013966-A1 ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-01-19 — — 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-20120013966-A1 ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME EPX, EPN1, HCN2 DDAH1 1879/4885PON1 4602/4885HSD17B10 760/4885

“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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