SCHEMBL12318751

SCHEMBL12318751

CC(N)C(=O)OB(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
CTRB1 P17538 5/20 0.38
TAAR1 Q96RJ0 1/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
TRPM2 O94759 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL12319276 0.86 ORAI1 (0.38) ORAI1ORAI2ORAI3TRPV6CTRB1
SCHEMBL13476027 0.85 ENPP2 (0.46) TAAR1ALDH1A1TSHRLMNA
SCHEMBL12270776 0.84 TARS1 (0.39) ORAI1ORAI2ORAI3TRPV6CTRB1
SCHEMBL12270868 0.82 LARS1 (0.48) KMT2AKDM4EALDH1A1CYP1A2TSHR
SCHEMBL12319123 0.80 DPP8 (0.44) CYP2D6
SCHEMBL12318749 0.79 CYP1A2 (0.38) ORAI1ORAI2ORAI3TRPV6KMT2A
SCHEMBL12270712 0.79 CYP1A2 (0.42) ORAI1ORAI2ORAI3TRPV6KMT2A
SCHEMBL13476054 0.78 POLB (0.39) ORAI1ORAI2ORAI3TRPV6KMT2A
SCHEMBL12319127 0.78 MEN1 (0.35) ORAI1ORAI2ORAI3TRPV6KMT2A
SCHEMBL12318750 0.78 MAPT (0.36) KMT2AKDM4EALDH1A1CYP1A2TSHR

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 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.