SCHEMBL5872631

SCHEMBL5872631

CCCCOC(=O)C(=O)OC(C)CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
TSHR P16473 4/20 0.43
HPGD P15428 2/20 0.41
HCAR2 Q8TDS4 1/20 0.39
NAAA Q02083 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FAAH O00519 1/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL7457326 0.87 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL4578697 0.84 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL4924002 0.82 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2988638 0.82 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2976445 0.82 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL5501929 0.81 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL137155 0.81 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL10456507 0.81 MAPT (0.38) TSHRSMN1; SMN2MAPTLMNA
SCHEMBL28787473 0.81 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28918606 0.79 MAPT (0.45) ALDH1A1ATMTSHRHPGDHCAR2

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-7102019-B2 Cosmetic and pharmaceutical preparations comprising ascorbic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20020034527-A1 Cosmetic and pharmaceutical preparations comprising ascorbic acid derivatives STREICHER HARALD (DE) 2002-03-21 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-20020034527-A1 Cosmetic and pharmaceutical preparations comprising ascorbic acid derivatives PROC, ALDH16A1, RCN1 ALDH1A1 14/4885ATM 4489/4885TSHR 3577/4885

“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.