SCHEMBL22953513

SCHEMBL22953513

CCC[n+]1ccc(-c2cc[n+](CCCCCP(=O)(O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HTT P42858 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ LPAR3 Q9UBY5 3/20 0.48
▸ LPAR2 Q9HBW0 2/20 0.48
▸ APAF1 O14727 2/20 0.43
▸ HSP90AA1 P07900 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ RGS12 O14924 1/20 0.43

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
SCHEMBL22931361 1.00 MEN1 (0.58) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL22953517 0.94 MEN1 (0.68) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL22953515 0.94 MEN1 (0.68) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL22953511 0.94 MEN1 (0.68) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL22953108 0.92 MEN1 (0.52) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL22953508 0.92 MEN1 (0.52) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL22953107 0.92 MEN1 (0.52) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL22953516 0.90 MEN1 (0.50) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL22953510 0.90 MEN1 (0.50) MEN1KMT2AMAPTTP53CYP1A2
SCHEMBL22953514 0.87 MEN1 (0.49) MEN1KMT2AMAPTTP53CYP1A2

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-20210032531-A1 ELECTROCHROMIC ELEMENT RICOH COMPANY, LTD. (JP) 2021-02-04 — — 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-20210032531-A1 ELECTROCHROMIC ELEMENT TMEM109, DSG1, GPX1 MEN1 745/4885KMT2A 2162/4885MAPT 3461/4885

“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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