SCHEMBL20331972

SCHEMBL20331972

C=CCN1C(=O)c2ccccc2C1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ ALDH1A1 P00352 4/20 0.54
▸ PKM P14618 3/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CASP3 P42574 1/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 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
SCHEMBL19291862 1.00 HPGD (0.55) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL19145919 0.85 ALDH1A1 (0.58) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL22389412 0.82 L3MBTL1 (0.54) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL6233047 0.78 HPGD (0.59) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL4465439 0.78 HPGD (0.59) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL19828935 0.77 HPGD (0.58) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL20924684 0.77 L3MBTL1 (0.62) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL24370526 0.76 NPSR1 (0.46) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL18828359 0.75 HPGD (0.56) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL9184161 0.75 L3MBTL1 (0.61) HPGDLMNAALDH1A1PKML3MBTL1

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-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 — — 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-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER HPGD 99/4885LMNA 565/4885ALDH1A1 140/4885

“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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