SCHEMBL25240456

SCHEMBL25240456

COc1c(C)cc(C)cc1P(Cl)c1cc(C)cc(C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.41
▸ PTPN1 P18031 2/20 0.32
▸ NR3C1 P04150 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ TAS1R2 Q8TE23 1/20 0.30
▸ RAPGEF4 Q8WZA2 2/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL16488059 0.83 ACHE (0.44) ACHEPTPN1NR3C1NR3C2MAPT
SCHEMBL129762 0.77 ACHE (0.57) ACHEPTPN1NR3C1NR3C2MAPT
SCHEMBL16487758 0.76 ACHE (0.39) ACHEPTPN1NR3C1NR3C2RAPGEF4
SCHEMBL13256220 0.71 ACHE (0.46) ACHEPTPN1MAPTL3MBTL1TAS1R3
SCHEMBL459763 0.71 ALDH1A1 (0.36) ACHEMAPTALDH1A1
SCHEMBL258728 0.70 MAPT (0.35) ACHEMAPTL3MBTL1RAPGEF4ALDH1A1
SCHEMBL258715 0.70 MAPT (0.35) ACHEMAPTL3MBTL1RAPGEF4ALDH1A1
SCHEMBL13083360 0.69 ACHE (0.48) ACHEPTPN1NR3C1NR3C2MAPT
SCHEMBL10196604 0.69 ACHE (0.76) ACHEPTPN1MAPTL3MBTL1
SCHEMBL532886 0.68 TRPV4 (0.41) ACHENR3C1NR3C2L3MBTL1RAPGEF4

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-20230165771-A1 PROCESS FOR TREATING KERATIN FIBERS USING PARTICULAR AMINO ACIDS IN HIGH CONCENTRATION L'OREAL (FR) 2023-06-01 — — 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-20230165771-A1 PROCESS FOR TREATING KERATIN FIBERS USING PARTICULAR AMINO ACIDS IN HIGH CONCENTRATION KRT18, CKAP4, VIM ACHE 3912/4885PTPN1 4092/4885NR3C1 4823/4885

“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.

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