SCHEMBL22681016

SCHEMBL22681016

CC(C)(C)c1ccc(NCC2COC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ ICMT O60725 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33

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
SCHEMBL22680868 0.85 CNR2 (0.41) GAAEPHX1EPHX2MAPTRAB9A
SCHEMBL22680866 0.83 CNR2 (0.47) CA1CA2GAAICMTEPHX1
SCHEMBL25039266 0.78 CA1 (0.40) CA1CA2HRH3GAAEPHX1
SCHEMBL17845233 0.77 MAPT (0.43) GAAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13438908 0.77 CA1 (0.39) CA1CA2HRH3GAAEPHX1
SCHEMBL25039655 0.77 CA1 (0.39) CA1CA2HRH3GAAEPHX1
SCHEMBL11935230 0.77 CA1 (0.39) CA1CA2HRH3GAAEPHX1
SCHEMBL25041995 0.74 SLC6A2 (0.39) CA1CA2HRH3GAAEPHX1
SCHEMBL25039281 0.74 CA1 (0.38) CA1CA2HRH3GAAEPHX1
SCHEMBL13762185 0.74 EP300 (0.43) HRH3

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-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-19 — — 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-20200361924-A1 FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH CA1 4826/4885CA2 2964/4885HRH3 4290/4885

“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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