SCHEMBL4864836

SCHEMBL4864836

CCOC(=O)CCCCC(Br)CCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 4/20 0.44
TRPA1 O75762 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
ATM Q13315 1/20 0.44
ALOX15 P16050 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DGKA P23743 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL20398910 0.86 TSHR (0.56) CYP1A2KMT2AALDH1A1TDP1CYP3A4
SCHEMBL11283053 0.86 CYP1A2 (0.47) CYP1A2KMT2AALDH1A1TRPA1TDP1
SCHEMBL8103969 0.84 TDP1 (0.49) CYP1A2KMT2AALDH1A1TRPA1TDP1
SCHEMBL10453981 0.82 CYP1A2 (0.43) CYP1A2KMT2AALDH1A1TRPA1TDP1
SCHEMBL282083 0.81 CYP1A2 (0.61) CYP1A2KMT2AALDH1A1TRPA1TDP1
SCHEMBL3050742 0.80 CYP1A2 (0.52) CYP1A2KMT2AALDH1A1TRPA1TDP1
SCHEMBL3517667 0.80 CYP1A2 (0.52) CYP1A2KMT2AALDH1A1TRPA1TDP1
SCHEMBL24597734 0.79 CYP1A2 (0.59) CYP1A2KMT2AALDH1A1TRPA1TDP1
SCHEMBL7034021 0.79 CYP1A2 (0.59) CYP1A2KMT2AALDH1A1TRPA1TDP1
SCHEMBL1005765 0.79 CYP1A2 (0.59) CYP1A2KMT2AALDH1A1TRPA1TDP1

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-7375246-B2 Sulfhydral containing compounds and methods of using the same REGENESIS BIOREMEDIATION PRODUCTS INC. (US) 2008-05-20 US disclosed
US-20050148712-A1 Polyol esters of sulfhydryl carboxylic acids; treating water and water-containing soils contaminated with metal FARONE WILLIAM A (US) 2005-07-07 US disclosed
US-6846947-B2 Sulfhydral containing compounds and methods of using same REGENESIS BIOREMEDIATION PRODUCTS, INC. (US) 2005-01-25 US disclosed
US-20040157316-A1 Sulfhydral containing compounds and methods of using same REGENESIS 2004-08-12 US disclosed
US-20040158095-A1 Sulfhydral containing compounds and methods of using same REGENESIS, INC. 2004-08-12 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-20040158095-A1 Sulfhydral containing compounds and methods of using same TST, QSOX1, CTH CYP1A2 781/4885KMT2A 2232/4885ALDH1A1 51/4885

“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.