SCHEMBL6289031

SCHEMBL6289031

CCc1c(CBr)ccc(C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
HMGB1 P09429 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA4 P48169 1/20 0.37

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
SCHEMBL6683046 0.89 SELL (0.47) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL7410303 0.83 GABRP (0.37) ALDH1A1HPGDGABRA1GABRB2GABRP
SCHEMBL27364849 0.83 SELL (0.41) SELLSELPKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL8574901 0.81 HMGB1 (0.42) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL8374984 0.81 SELL (0.50) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL10587189 0.81 GABRA1 (0.48) GABRA1GABRB2
SCHEMBL7944652 0.79 CLCN2 (0.50) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL8572337 0.79 GRM1 (0.47) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL4973094 0.79 GABRP (0.39) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL31336021 0.78 SELL (0.57) SELLSELPKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6870065-B2 Bifunctional boronic compound complexing reagents and complexes CAMBREX BIO SCIENCE ROCKLAND, INC. (US) 2005-03-22 US disclosed
US-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes AHLEM CLARENCE N (US) 2003-06-05 US disclosed
US-6414122-B1 BIOCHEMICAL CONJUGATION TO PROTEINS, PEPTIDES, HORMONES, POLYSACCHARIDES, NUCLEIC ACIDS, LIPOSOMES, RADIONUCLIDES, HAPTENS, AND TOXINS PROLINX, INC. 2002-07-02 US disclosed
US-6156884-A Bifunctional boronic compound complexing reagents and complexes PROLINX, INC. (US) 2000-12-05 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-20030105280-A1 Bifunctional boronic compound complexing reagents and complexes CHN2, CFH, COG2 SELL 4011/4885SELP 3316/4885KDM4E 4226/4885

“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.