SCHEMBL6027361

SCHEMBL6027361

CC1(c2cccc(-c3cc(Cl)co3)c2)OC(=O)C(O)=C1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.38
HCAR3 P49019 3/20 0.38
BACE1 P56817 3/20 0.31
PTPN1 P18031 1/20 0.31
PTGS2 P35354 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRNA1 P02708 2/20 0.30
CHRNG P07510 2/20 0.30
CHRNB1 P11230 2/20 0.30
CHRNB2 P17787 2/20 0.30
SLC6A2 P23975 2/20 0.30
CHRNB4 P30926 2/20 0.30
CHRNA3 P32297 2/20 0.30
CHRNA4 P43681 2/20 0.30
SLC6A3 Q01959 2/20 0.30
CHRND Q07001 2/20 0.30
PGR P06401 2/20 0.30
SLC6A4 P31645 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30

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
SCHEMBL7966284 0.77 HCAR2 (0.37) HCAR2HCAR3BACE1KCNH2CHRNA1
SCHEMBL6026778 0.77 BACE1 (0.36) BACE1
SCHEMBL6027803 0.76 HCAR3 (0.39) HCAR2HCAR3BACE1PTGS2KCNH2
SCHEMBL6026912 0.74 ALDH1A1 (0.36) HCAR2HCAR3PGR
SCHEMBL7966361 0.74 QPCT (0.31) EGFR
SCHEMBL7984729 0.72 CHRNA1 (0.39) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL6026477 0.72 CHRNA1 (0.39) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL7969034 0.72 ALDH1A1 (0.38) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL6927977 0.72 ALDH1A1 (0.38) HCAR2HCAR3PTGS2CHRNA1CHRNG
SCHEMBL7593441 0.72 ALDH1A1 (0.38) HCAR2HCAR3PTGS2CHRNA1CHRNG

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-7019029-B2 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2006-03-28 US disclosed
US-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2002-10-03 US disclosed
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 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-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives TYR, PPP6C, CYP26A1 HCAR2 442/4885HCAR3 352/4885BACE1 3868/4885

“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.