SCHEMBL5502483

SCHEMBL5502483

O=C(c1cc(O)ccc1O)c1ccccc1CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 2/20 0.50
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
CASP1 P29466 1/20 0.44
SIRT1 Q96EB6 2/20 0.44
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL7551903 0.82 CA12 (0.59) GSTA1CA12CA1CA2CA7
SCHEMBL3135339 0.82 FOLH1 (0.41) GSTA1CYP1A2ALOX15CYP2C19CYP2C9
SCHEMBL7713693 0.81 GSTA1 (0.67) GSTA1CA12CA1CA2CA7
SCHEMBL3905124 0.78 CA12 (0.70) GSTA1CA12CA1CA2CA7
SCHEMBL11691699 0.76 CA12 (0.68) GSTA1CA12CA1CA2CA7
SCHEMBL11843932 0.75 RECQL (0.51) GSTA1CA12CA1CA2CA7
SCHEMBL2280625 0.74 ALDH1A1 (0.42) HPGDALDH1A1MEN1KMT2A
SCHEMBL8861157 0.73 CA12 (0.52) GSTA1CA12CA1CA2CA7
SCHEMBL4440969 0.72 CES2 (0.39) HPGDLMNAALDH1A1MEN1MAPT
SCHEMBL4441884 0.72 RECQL (0.49) CA1CA2HPGDCYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761259-A2 TOPICAL FORMULATIONS FOR TREATING ALLERGIC DISEASES ALCON INC. (CH) 2007-03-14 EP disclosed
WO-2006004757-A2 TOPICAL FORMULATIONS FOR TREATING ALLERGIC DISEASES ALCON, INC. (CH) 2006-01-12 WO disclosed
US-20050288283-A1 Topical formulations for treating allergic diseases ALCON, INC. 2005-12-29 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-20050288283-A1 Topical formulations for treating allergic diseases TSLP, HRH2, HRH1 GSTA1 2956/4885CA12 1010/4885CA1 2888/4885

“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.