SCHEMBL4991769

SCHEMBL4991769

C/C=C/C(=O)C1(C)CCCCC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5573146 1.00 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL4393174 0.79 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL4393175 0.79 TSHR (0.32) TSHRNFKB1CYP2C19
SCHEMBL12214295 0.76 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL28770199 0.74 TSHR (0.35) TSHRNFKB1CYP2C19
SCHEMBL9312387 0.72 FFAR3 (0.43) TSHRNFKB1CYP2C19
SCHEMBL2322621 0.72 FFAR3 (0.43) TSHRNFKB1CYP2C19
SCHEMBL9310198 0.72 FFAR3 (0.43) TSHRNFKB1CYP2C19
SCHEMBL5708616 0.72 TSHR (0.34) TSHRNFKB1CYP2C19
SCHEMBL29047138 0.71 CYP1A2 (0.32)

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-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
US-4136066-A PERFUME P.F.W. BEHEER B.V. (NL) 1979-01-23 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-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; TST, CYSLTR1, CYSLTR2 TSHR 1995/4885NFKB1 3622/4885CYP2C19 412/4885

“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.