SCHEMBL3011297

SCHEMBL3011297

C=CC(Br)(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
TGM2 P21980 3/20 0.34
F13A1 P00488 1/20 0.34
LMNA P02545 1/20 0.34
TGM1 P22735 1/20 0.34
TGM3 Q08188 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 2/20 0.33
PYCR1 P32322 1/20 0.32
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL3019705 0.80 CYP2A6 (0.38) CYP2A6CA1CA2CA5ACA9
SCHEMBL11641215 0.80 CYP19A1 (0.40) LMNAALDH1A1ALOX15MAPK1CYP2C19
SCHEMBL11468479 0.76 ALDH1A1 (0.39) ALDH1A1ALOX15MAPK1TDP1
SCHEMBL23536244 0.75 CA1 (0.42) CYP2A6CA1CA2CA5ACA9
SCHEMBL6596280 0.75 CYP2A6 (0.38) CYP2A6CA1CA2CA5ACA9
SCHEMBL3010421 0.75 CYP2A6 (0.38) CYP2A6CA1CA2CA5ACA9
SCHEMBL18726830 0.70 CA1 (0.34) CYP2A6CA1CA2CA5ACA9
SCHEMBL7681435 0.69 ALOX15 (0.52) TGM2F13A1LMNATGM1TGM3
SCHEMBL32670433 0.69 AR (0.47) CYP2A6CA1CA2CA5ACA9
SCHEMBL11619282 0.69 KDM4E (0.41) TGM2F13A1LMNATGM1TGM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197950-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC 2010-08-05 US claimed
EP-2029507-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES High Point Pharmaceuticals, LLC (US) 2009-03-04 EP claimed
WO-2007141295-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC (US) 2007-12-13 WO claimed
US-20100197950-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC 2010-08-05 US disclosed
EP-2029507-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES High Point Pharmaceuticals, LLC (US) 2009-03-04 EP disclosed
WO-2007141295-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HIGH POINT PHARMACEUTICALS, LLC (US) 2007-12-13 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-20100197950-A1 PROCESS FOR PREPARING PHENOXY ACETIC ACID DERIVATIVES HAAO, HPD, PAH CYP2A6 67/4885CA1 1417/4885CA2 1776/4885

“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.