SCHEMBL2711986

SCHEMBL2711986

CCC(CCCl)COCC(CC)CCCl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 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
SCHEMBL11676287 0.80
SCHEMBL7268348 0.80
SCHEMBL10597507 0.78 CYP3A4 (0.48) CYP3A4ALDH1A1L3MBTL1TSHRATM
SCHEMBL897065 0.76 CYP3A4 (0.39) CYP3A4ALDH1A1L3MBTL1TSHR
SCHEMBL18888023 0.76 CYP3A4 (0.47) CYP3A4ALDH1A1L3MBTL1TSHRATM
SCHEMBL3381762 0.75
SCHEMBL11852563 0.74 CYP3A4 (0.41) CYP3A4ALDH1A1L3MBTL1TSHRATM
SCHEMBL80432 0.74 CYP3A4 (0.67) CYP3A4ALDH1A1L3MBTL1TSHRATM
SCHEMBL8401011 0.73 CYP3A4 (0.65) CYP3A4ALDH1A1L3MBTL1TSHRATM
SCHEMBL10379838 0.72

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9248117-B2 Substituted N,N-dihaloamines as antimicrobials NOVABAY PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
EP-2629607-A2 ANTIMICROBIAL POLYETHER AND POLYOL COMPOUNDS NovaBay Pharmaceuticals, Inc. (US) 2013-08-28 EP disclosed
CN-103260402-A Antimicrobial polyether and polyol compounds NOVABAY PHARMACEUTICALS INC 2013-08-21 CN disclosed
US-20120129793-A1 Antimicrobial Polyether and Polyol Compounds NOVABAY PHARMACEUTICALS, INC. 2012-05-24 US disclosed
WO-2012054521-A2 ANTIMICROBIAL POLYETHER AND POLYOL COMPOUNDS NOVABAY PHARMACEUTICLAS, INC. (US) 2012-04-26 WO 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-20120129793-A1 Antimicrobial Polyether and Polyol Compounds POLR1C, DPM1, PRF1 CYP3A4 1242/4885ALDH1A1 1198/4885L3MBTL1 2934/4885

“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.