SCHEMBL4993233

SCHEMBL4993233

CC(C)C(CO)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.52
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 3/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL17834060 1.00 SHBG (0.52) SHBGTP53KDM4EGMNNLMNA
SCHEMBL24920002 0.87
SCHEMBL10077547 0.84 SHBG (0.56) SHBGTP53KDM4EGMNNLMNA
SCHEMBL17834061 0.82 SHBG (0.48) SHBGTP53KDM4EGMNNLMNA
SCHEMBL27154294 0.82 SHBG (0.43) SHBGTP53KDM4EGMNNLMNA
SCHEMBL12833188 0.79 SHBG (0.44) SHBGTP53KDM4EGMNNLMNA
SCHEMBL12832711 0.79 SHBG (0.44) SHBGTP53KDM4EGMNNLMNA
SCHEMBL22068456 0.78 SHBG (0.76) SHBGTP53KDM4EGMNNLMNA
SCHEMBL11802672 0.78 SHBG (0.76) SHBGTP53KDM4EGMNNLMNA
SCHEMBL21785851 0.77 PIK3CD (0.35) SHBG

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 13 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
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
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-7332488-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
CN-101083975-A Hair treatment agent and hair waving method SHOWA DENKO KK (JP) 2007-12-05 CN disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-20070117795-A1 Methods and compositions of novel triazine compounds DR. REDDY'S LABORATORIES LTD. (IN) 2007-05-24 US disclosed
US-20070099874-A1 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-05-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 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 (3 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-20070099874-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SHBG 875/4885TP53 3589/4885KDM4E 3314/4885
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 SHBG 402/4885TP53 1570/4885KDM4E 4747/4885
US-20070117795-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS SHBG 875/4885TP53 3589/4885KDM4E 3314/4885

“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.