SCHEMBL6289047

SCHEMBL6289047

COC(=O)c1c(O)cc(CNC(=O)CCCC(=O)NCCN(CCNC(=O)CCCC(=O)NCc2cc(O)c(C(=O)OC)c(O)c2)C(=O)CCCC(=O)O[N+]2(O)C(=O)CCC2=O)cc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.35
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
LDHA P00338 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 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
SCHEMBL6289436 0.90 TRPV1 (0.41) TRPV1HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL6290004 0.72 EGFR (0.49) TRPV1HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL6289106 0.67 TRPV1 (0.43) TRPV1HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL6289432 0.66 TRPV1 (0.42) TRPV1HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL6290018 0.66 CA1 (0.42) TRPV1HPGDALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6293521 0.65 TRPV1 (0.54) TRPV1HPGDALDH1A1CYP1A2CYP3A4
SCHEMBL19549311 0.64 TSHR (0.34)
SCHEMBL6290026 0.64 CYP3A4 (0.47) TRPV1CYP3A4HDAC3HDAC1HDAC6
SCHEMBL6290007 0.63 CA1 (0.41) TRPV1CNR1CNR2
SCHEMBL7584584 0.63 CA12 (0.44) TRPV1HPGDCYP3A4

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 TRPV1 4696/4885HPGD 3266/4885ALDH1A1 3191/4885

“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.