SCHEMBL21046373

SCHEMBL21046373

CC(C)n1c[n+](C(C)C)c2cc(OCCCCCCCCCCCOC(=O)O)ccc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.36
▸ POLB P06746 2/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAOB P27338 4/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PTPN11 Q06124 1/20 0.32
▸ PLA2G4B P0C869 1/20 0.32
▸ RARB P10826 1/20 0.32

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
Bicarbonate SCHEMBL18824162 0.87 FGFR1 (0.37) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL18844463 0.86 FGFR1 (0.39) MEN1KMT2ANPC1RAB9AMAOB
Iodide SCHEMBL18824159 0.85 FGFR1 (0.38) MEN1KMT2ANPC1RAB9AMAOB
SCHEMBL17916653 0.85 LTA4H (0.40) NPC1RAB9ATP53TSHRGAA
Bicarbonate SCHEMBL17911341 0.85 TP53 (0.39) TP53TSHRPTPN11PLA2G4BRARB
Bicarbonate SCHEMBL21046372 0.85 FGFR1 (0.35) POLBMEN1KMT2ANPC1RAB9A
Iodide SCHEMBL16516285 0.84 LTA4H (0.39) NPC1RAB9ATP53TSHRGAA
Iodide SCHEMBL30731322 0.84 LTA4H (0.39) NPC1RAB9ATP53TSHRGAA
SCHEMBL25860237 0.82 CARM1 (0.34) —
Iodide SCHEMBL21046358 0.80 CASR (0.35) MAOB

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-11008291-B2 Methods of forming carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2021-05-18 — — US disclosed
US-20190169132-A1 Methods of Forming Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2019-06-06 — — 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 (2 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-11008291-B2 Methods of forming carbene-functionalized composite materials VCL, CHN2, CA3 HTT 778/4885POLB 1790/4885APEX1 43/4885
US-20190169132-A1 Methods of Forming Carbene-Functionalized Composite Materials VCL, CHN2, CA3 HTT 778/4885POLB 1790/4885APEX1 43/4885

“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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