SCHEMBL22025331

SCHEMBL22025331

CC(C)CC(C)OCC(O)CF

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 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
SCHEMBL9413357 0.86 TDP1 (0.35) TDP1
SCHEMBL28157696 0.84 TDP1 (0.34) TDP1
SCHEMBL4623780 0.80 USP2 (0.35) TDP1
SCHEMBL20117658 0.77 TDP1 (0.34) TDP1
SCHEMBL23766605 0.77
SCHEMBL18959710 0.77 TDP1 (0.50) TDP1
SCHEMBL23766603 0.77
SCHEMBL18029901 0.77
SCHEMBL18959720 0.77 TDP1 (0.50) TDP1
SCHEMBL13096033 0.73

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-11090255-B2 Use of polycarboxylic acid compounds for the treatment of fibrious amino acid based substrates, especially hair MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2021-08-17 US disclosed
US-20200170923-A1 USE OF POLYCARBOXYLIC ACID COMPOUNDS FOR THE TREATMENT OF FIBRIOUS AMINO ACID BASED SUBSTRATES, ESPECIALLY HAIR MOMENTIVE PERFORMANCE MATERIALS INC. 2020-06-04 US disclosed
US-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-05-28 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 (3 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-11090255-B2 Use of polycarboxylic acid compounds for the treatment of fibrious amino acid based substrates, especially hair ABAT, PCCA, FH TDP1 1565/4885
US-20200170923-A1 USE OF POLYCARBOXYLIC ACID COMPOUNDS FOR THE TREATMENT OF FIBRIOUS AMINO ACID BASED SUBSTRATES, ESPECIALLY HAIR ABAT, PCCA, FH TDP1 1565/4885
US-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES PAH, CUTA, ASPH TDP1 2450/4885

“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.