SCHEMBL421973

SCHEMBL421973

CC(=O)OC(Cc1ccccc1)C(C)N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
SLC15A1 P46059 1/20 0.46
SRR Q9GZT4 2/20 0.45
TSHR P16473 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 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
SCHEMBL14765434 0.86 CTSL (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL421687 0.85 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL421632 0.85 TAAR1 (0.53) SLC7A5SLC6A2TAAR1
SCHEMBL341158 0.81 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7100077 0.81 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3505882 0.80 ALDH1A1 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9028692 0.80 ALDH1A1 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5617244 0.80 ALDH1A1 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL422007 0.78 ALOX15 (0.56) PTGS1SLC7A5CYP2D6SLC6A2SLC6A3
SCHEMBL31553563 0.78 ALDH1A1 (0.53) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers HENKEL AG & CO. KGAA (DE) 2012-03-15 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-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers H1-0, H1-3, H1-2 ALPI 2239/4885PKM 1183/4885PTGS1 3194/4885

“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.