SCHEMBL5028069

SCHEMBL5028069

Nc1cc2ccc3cc(O)sc3c2s1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
CA2 P00918 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL4420026 0.86 BACE1 (0.39) BACE1ALDH1A1
SCHEMBL17934681 0.75 BACE1 (0.35) BACE1ALDH1A1
SCHEMBL18965754 0.74 BACE1 (0.36) BACE1ALDH1A1
SCHEMBL4420535 0.72 BACE1 (0.47) BACE1CA2
SCHEMBL4428271 0.72 CYP2A6 (0.33) BACE1
SCHEMBL4430251 0.71
SCHEMBL4423458 0.71 GAA (0.33) BACE1CA2ALDH1A1ALOX15
SCHEMBL4418339 0.71 GAA (0.36) BACE1CA2ALDH1A1ALOX15
SCHEMBL4431162 0.71 AOC3 (0.33)
SCHEMBL19380286 0.69 ALOX5 (0.36) BACE1ALOX15

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-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 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-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 BACE1 3534/4885CA2 1520/4885ALDH1A1 657/4885

“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.