SCHEMBL446847

SCHEMBL446847

C=C(C)C(=O)NN(CCCCCCCCCCCC)C(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
EPHX1 P07099 3/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
FAAH O00519 1/20 0.31
CES2 O00748 1/20 0.31
KDM5A P29375 3/20 0.31
PHF8 Q9UPP1 3/20 0.31
KDM4C Q9H3R0 2/20 0.31
DNM1 Q05193 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
Hydrochloric Acid SCHEMBL16857677 0.98 TSHR (0.35) TSHREPHX1ZDHHC20ZDHHC2THRA
SCHEMBL2744545 0.76 TSHR (0.41) TSHREPHX1ZDHHC20ZDHHC2THRA
SCHEMBL463179 0.75
Bromide SCHEMBL28446261 0.74 TSHR (0.40) TSHREPHX1ZDHHC20ZDHHC2THRA
SCHEMBL2360595 0.72 TSHR (0.37) TSHREPHX1ZDHHC20ZDHHC2THRA
SCHEMBL9116946 0.71 CA12 (0.42) TSHRTHRATHRBFAAHCES2
Hydrochloric Acid SCHEMBL27634971 0.71 TSHR (0.37) TSHREPHX1ZDHHC20ZDHHC2THRA
SCHEMBL3279930 0.68 KDM5A (0.40) TSHREPHX1ZDHHC20ZDHHC2THRA
SCHEMBL291199 0.67 DNM1 (0.45) EPHX1ZDHHC20ZDHHC2FAAHKDM5A
SCHEMBL3280795 0.67 EPHX1 (0.48) EPHX1ZDHHC20ZDHHC2FAAHKDM5A

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-20150114424-A1 SHAPING AGENT FOR KERATINOUS FIBRES AND HAIR SHAPING METHOD HENKEL AG & CO. KGAA (DE) 2015-04-30 US disclosed
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 (2 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-20150114424-A1 SHAPING AGENT FOR KERATINOUS FIBRES AND HAIR SHAPING METHOD KRT18, COL14A1, COL1A1 TSHR 3945/4885EPHX1 4175/4885ZDHHC20 17/4885
US-20120060856-A1 Cosmetic Composition and Reshaping Method for Keratinic Fibers H1-0, H1-3, H1-2 TSHR 791/4885EPHX1 1936/4885ZDHHC20 118/4885

“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.