SCHEMBL18775295

SCHEMBL18775295

COC(=O)c1ccc(C[n+]2ccc(-c3cc[n+](Cc4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ ACHE P22303 4/20 0.47
▸ BCHE P06276 2/20 0.47
▸ EGFR P00533 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ RXRA P19793 3/20 0.41
▸ RXRB P28702 3/20 0.41
▸ RXRG P48443 3/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA12 O43570 1/20 0.40

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
SCHEMBL16996823 0.87 PKM (0.59) PKMCA1CA2ACHELOXL2
SCHEMBL18775303 0.82 PKM (0.44) PKMCA1CA2ACHELOXL2
SCHEMBL18775300 0.81 PKM (0.68) PKMCA1CA2LOXL2NPC1
SCHEMBL19892479 0.81 PKM (0.54) PKMCA1CA2ACHELOXL2
SCHEMBL18775287 0.81 BCHE (0.58) ACHEBCHERAB9ACHKA
Bromide SCHEMBL19534955 0.77 PKM (0.53) PKMCA1CA2ACHELOXL2
SCHEMBL20143524 0.77 PKM (0.50) PKMACHELOXL2NPC1RAB9A
SCHEMBL19888147 0.77 PKM (0.47) PKMCA1CA2ACHEEGFR
SCHEMBL18783480 0.76 MRGPRX4 (0.49) PKMLOXL2CYP4A11CYP4F2
SCHEMBL19102949 0.76 PKM (0.46) PKMCA1CA2ACHEBCHE

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-9969931-B2 Electrochromic composition and electrochromic element CANON KABUSHIKI KAISHA (JP) 2018-05-15 — — US disclosed
US-20170114274-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT CANON KABUSHIKI KAISHA (JP) 2017-04-27 — — 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-20170114274-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT SCN11A, ECH1, H1-0 PKM 2059/4885CA1 140/4885CA2 414/4885

“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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