SCHEMBL4993240

SCHEMBL4993240

CC(C)C(C)(O)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
SSTR4 P31391 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP2C19 P33261 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL13640056 1.00 EPHX1 (0.31) EPHX1SSTR4PDK1PDK2PDK3
SCHEMBL13640033 0.97 ALDH1A1 (0.32) ALDH1A1CYP2C19
SCHEMBL27284402 0.92 ALDH1A1 (0.32) ALDH1A1CYP2C19
SCHEMBL26854549 0.87
SCHEMBL459028 0.87
SCHEMBL11741166 0.79
SCHEMBL23777181 0.78
SCHEMBL7322787 0.78 EPHX1 (0.32) EPHX1SSTR4PDK1PDK2PDK3
SCHEMBL916056 0.76
SCHEMBL29046914 0.76 TRPA1 (0.31)

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 8 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
CN-101669887-B Hair processing agent and method for permanent waving hair SHOWA DENKO KK 2012-12-05 CN disclosed
US-8309730-B2 Nonsteroidal compounds useful as modulators of glucocorticoid receptor AP-1 and/or NF-kappab acitivity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-10-27 US disclosed
CN-101083975-B Hair treatment agent and hair waving method SHOWA DENKO KK 2010-12-01 CN disclosed
CN-101669887-A Hair processing agent and method for permanent waving hair SHOWA DENKO KK 2010-03-17 CN 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
CN-101083975-A Hair treatment agent and hair waving method SHOWA DENKO KK (JP) 2007-12-05 CN 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-20110263494-A1 NONSTEROIDAL COMPOUNDS USEFUL AS MODULATORS OF GLUCOCORTICOID RECEPTOR AP-1 AND/OR NF-KAPPAB ACITIVITY AND USE THEREOF NFKBIA, RELA, NR3C1 EPHX1 1838/4885SSTR4 2555/4885PDK1 937/4885
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 EPHX1 1612/4885SSTR4 3448/4885PDK1 4844/4885

“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.