SCHEMBL2405593

SCHEMBL2405593

OB(c1cccc2ccccc12)C(OC(B(O)c1cccc2ccccc12)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
CDC25B P30305 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2400587 0.72 ORAI1 (0.42) LMNA
SCHEMBL24488 0.69 ALDH1A1 (0.48) ALDH1A1CYP1A2NR4A1NR4A2NR4A3
SCHEMBL29391558 0.69 ALDH1A1 (0.48) ALDH1A1CYP1A2NR4A1NR4A2NR4A3
SCHEMBL5601608 0.69 ALDH1A1 (0.48) ALDH1A1CYP1A2NR4A1NR4A2NR4A3
SCHEMBL5571942 0.69 CYP1A2 (0.48) ALDH1A1CYP1A2NR4A1NR4A2NR4A3
SCHEMBL22635045 0.69 CYP1A2 (0.43) ALDH1A1CYP1A2NR4A1NR4A2NR4A3
SCHEMBL2405995 0.68 ORAI1 (0.38)
SCHEMBL7177934 0.67 TRPV6 (0.52) ALDH1A1CYP1A2NR4A1NR4A2NR4A3
Phenylboronic Acid SCHEMBL3985819 0.66 ENPP2 (0.56) ALDH1A1CYP1A2NR4A1NR4A2NR4A3
SCHEMBL2407734 0.66 ORAI1 (0.42) LMNAALDH1A1PPARGPPARASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 LMNA 3426/4885ALDH1A1 4540/4885CYP1A2 3629/4885

“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.