SCHEMBL6673408

SCHEMBL6673408

CCS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
DDR1 Q08345 4/20 0.38
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL9709992 0.88 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL4508862 0.86 LMNA (0.41) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL31147083 0.86 LMNA (0.41) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL28554398 0.85 LMNA (0.40) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL28913322 0.85 LMNA (0.40) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL31147082 0.82 KDM4E (0.38) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL6891924 0.82 HPGD (0.64) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL3254341 0.80 HPGD (0.50) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL6564104 0.76 MAPT (0.47) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL1963804 0.76 TSHR (0.40) CYP1A2HPGDALDH1A1MEN1KMT2A

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
US-20040236146-A1 Method for producing 3-bromomethylbenzoic acids BAYER CROPSCIENCE GMBH (DE) 2004-11-25 US disclosed
EP-1427700-A1 METHOD FOR PRODUCING 3-BROMOMETHYLBENZOIC ACIDS Bayer CropScience GmbH (DE) 2004-06-16 EP disclosed
WO-2003022800-A1 METHOD FOR PRODUCING 3-BROMOMETHYLBENZOIC ACIDS BAYER CROPSCIENCE GMBH (DE) 2003-03-20 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-20040236146-A1 Method for producing 3-bromomethylbenzoic acids CYP2F1, CYP1B1, BCAT2 CYP1A2 26/4885CYP3A4 232/4885CYP2D6 69/4885

“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.