SCHEMBL5041892

SCHEMBL5041892

CCCCCN(CCC)C(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.47
BACE1 P56817 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5044031 0.97 HPGD (0.57) HPGDALDH1A1GAATSHRTDP1
SCHEMBL2482695 0.95 HPGD (0.56) HPGDALDH1A1GAATSHR
SCHEMBL30317186 0.95 HPGD (0.56) HPGDALDH1A1GAATSHR
SCHEMBL2206424 0.92 TP53 (0.53) HPGDALDH1A1BACE1TP53TDP1
Hydrochloric Acid SCHEMBL5037688 0.91 TP53 (0.51) HPGDALDH1A1BACE1TP53TDP1
SCHEMBL10724585 0.89 HPGD (0.61) HPGDALDH1A1GAATSHRTDP1
SCHEMBL10722469 0.86 HPGD (0.69) HPGDALDH1A1GAATP53TSHR
SCHEMBL9361376 0.86 TP53 (0.60) HPGDALDH1A1BACE1TP53TSHR
SCHEMBL18766848 0.85 MLYCD (0.48) HPGDALDH1A1GAABACE1TP53
SCHEMBL570949 0.84 HPGD (0.56) HPGDALDH1A1GAATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7345082-B2 Phosphinic acids HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
EP-1685142-B1 PHOSPHINIC ACID DERIVATIVES, BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
US-20050107341-A1 Phosphinic acids F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 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-20050107341-A1 Phosphinic acids BACE1, PSEN1, PSEN2 HPGD 2689/4885ALDH1A1 1510/4885GAA 244/4885

“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.