SCHEMBL12266366

SCHEMBL12266366

Cc1ccc(B(O)c2cccc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.52
ORAI2 Q96SN7 2/20 0.52
ORAI3 Q9BRQ5 2/20 0.52
TRPV6 Q9H1D0 2/20 0.52
CA2 P00918 1/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
CYP2A6 P11509 3/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 3/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
RRM1 P23921 1/20 0.35

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
SCHEMBL7177934 0.85 TRPV6 (0.52) ORAI1ORAI2ORAI3TRPV6CYP2A6
SCHEMBL13383567 0.84 CYP1A2 (0.42) ORAI1ORAI2ORAI3TRPV6CA2
SCHEMBL12266163 0.81 LPL (0.47) LPLLIPGCYP2A6KMT2AMEN1
SCHEMBL5571942 0.80 CYP1A2 (0.48) ORAI1ORAI2ORAI3CYP2A6ALDH1A1
SCHEMBL2398463 0.77 TSHR (0.38) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL29391558 0.76 ALDH1A1 (0.48) CYP2A6ALDH1A1CYP1A2TSHR
SCHEMBL24488 0.76 ALDH1A1 (0.48) CYP2A6ALDH1A1CYP1A2TSHR
SCHEMBL5601608 0.76 ALDH1A1 (0.48) CYP2A6ALDH1A1CYP1A2TSHR
Phenyl Methyl Borinic Acid SCHEMBL8155181 0.76 PCSK9 (0.37) ORAI1ORAI2ORAI3TRPV6PCSK9
SCHEMBL12266207 0.72 SIGMAR1 (0.43) LPLLIPGCYP2A6ALDH1A1KMT2A

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-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 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 ORAI1 4605/4885ORAI2 3906/4885ORAI3 4036/4885

“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.