SCHEMBL18775303

SCHEMBL18775303

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.44
▸ ACHE P22303 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ AR P10275 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL18775299 0.88 MRGPRX4 (0.46) PKMLOXL2NPC1LMNA
SCHEMBL18775301 0.83 KDM4E (0.45) ACHERAB9ARXRARXRBRXRG
SCHEMBL18775295 0.82 PKM (0.48) PKMACHESMN1; SMN2CA12CA1
SCHEMBL16996823 0.82 PKM (0.59) PKMACHESMN1; SMN2CA12CA1
SCHEMBL18783480 0.81 MRGPRX4 (0.49) PKMNOTUMLOXL2LMNA
SCHEMBL20143116 0.79 RXRA (0.41) ACHERAB9ARXRARXRBRXRG
SCHEMBL12255430 0.77 RXRA (0.54) NOTUMCA12CA1CA2CA9
SCHEMBL19892479 0.77 PKM (0.54) PKMACHESMN1; SMN2CA12CA1
SCHEMBL18775300 0.77 PKM (0.68) PKMCA1CA2LOXL2NPC1
SCHEMBL19102931 0.74 PKM (0.46) PKMACHECA12CA1CA2

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 2059/4885ACHE 723/4885SMN1; SMN2 3872/4885

“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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