SCHEMBL20201248

SCHEMBL20201248

Cn1cccc1C(=O)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.72
RAB9A P51151 6/20 0.72
ALDH1A1 P00352 7/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 1/20 0.50
GAA P10253 2/20 0.49

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
SCHEMBL29020238 0.85 NPC1 (0.69) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL29020239 0.82 RAB9A (0.51) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL31500283 0.81 TDP1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL31273232 0.81 TDP1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL28311744 0.81 TDP1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL29020275 0.80 ALDH1A1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL2399420 0.80 NPC1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL29020281 0.79 TDP1 (0.53) NPC1RAB9AALDH1A1KMT2ATDP1
SCHEMBL28340801 0.79 TDP1 (0.49) NPC1RAB9AALDH1A1KMT2ATDP1
SCHEMBL29020291 0.79 ALDH1A1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119866328-A Antiviral compounds 英菲克斯治疗有限公司 2025-04-22 CN disclosed
CN-115093355-B Preparation method of pyrrole ester compound 河南农业大学 2024-06-04 CN disclosed
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
CN-115093355-A Preparation method of pyrrole ester compound 河南农业大学 2022-09-23 CN disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 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-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 NPC1 1847/4885RAB9A 2766/4885ALDH1A1 495/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 NPC1 1847/4885RAB9A 2766/4885ALDH1A1 495/4885

“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.