SCHEMBL19981067

SCHEMBL19981067

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCN(C)C)O2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.60
PTGS2 P35354 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
BCHE P06276 18/20 0.53
ACHE P22303 18/20 0.53

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
SCHEMBL2059211 0.93 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2058872 0.89 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL29642142 0.89 PTGS1 (0.57) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2058855 0.88 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059279 0.87 PTGS1 (0.61) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059293 0.87 PTGS1 (0.61) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15137470 0.87 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2058902 0.87 PTGS1 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059248 0.87 PTGS1 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2058898 0.87 PTGS1 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR

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-20180078476-A1 Method of Increasing Uptake of Washfastness of Hair Health Compounds THE PROCTER & GAMBLE COMPANY 2018-03-22 US disclosed
WO-2018053096-A1 METHOD OF INCREASING UPTAKE AND WASHFASTNESS OF HAIR HEALTH COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO 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-20180078476-A1 Method of Increasing Uptake of Washfastness of Hair Health Compounds CD44, NHERF1, WASHC4 PTGS1 4642/4885PTGS2 4757/4885CYP1A2 2637/4885

“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.