SCHEMBL957050

SCHEMBL957050

CCOC(=O)CC(=O)CCc1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.54
CYP4A11 Q02928 3/20 0.54
TAAR1 Q96RJ0 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
EPHX2 P34913 1/20 0.41
IAPP P10997 1/20 0.41
NLRP3 Q96P20 1/20 0.40
RIPK1 Q13546 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL1511313 0.88 CYP4F2 (0.69) CYP4F2CYP4A11TAAR1ALDH1A1GAA
SCHEMBL12602245 0.85 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL12098456 0.85 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL956095 0.82 CYP4F2 (0.54) CYP4F2CYP4A11TAAR1ALDH1A1GAA
SCHEMBL956957 0.82 CYP4F2 (0.54) CYP4F2CYP4A11TAAR1ALDH1A1GAA
SCHEMBL9157019 0.82 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL28641430 0.82 EGFR (0.43) CYP4F2CYP4A11ALDH1A1GAAKMT2A
SCHEMBL28873178 0.81 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1SMN1; SMN2POLB
SCHEMBL14935427 0.81 IAPP (0.59) CYP4F2CYP4A11TAAR1ALDH1A1SMN1; SMN2
SCHEMBL31248156 0.81 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 NOVARTIS AG (CH) 2011-01-13 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-20110009429-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR3 CYP4F2 1678/4885CYP4A11 1251/4885TAAR1 1026/4885

“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.