SCHEMBL12266320

SCHEMBL12266320

CCc1ccc(B(OCCNC)c2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ LYPLA1 O75608 1/20 0.35
▸ LYPLA2 O95372 1/20 0.35
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HTR1B P28222 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TRPM2 O94759 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL12271034 0.88 LYPLA1 (0.48) LPLLIPGLYPLA1LYPLA2KMT2A
SCHEMBL12266290 0.84 CYP1A2 (0.49) LYPLA1LYPLA2KMT2AMEN1ATM
SCHEMBL12266324 0.82 LPL (0.32) LPLLIPGLYPLA1LYPLA2CARM1
SCHEMBL12266328 0.82 MAPT (0.38) LPLLIPGLYPLA1LYPLA2HTR1B
SCHEMBL12266234 0.81 CYP1A2 (0.53) LPLLIPGLYPLA1LYPLA2KMT2A
SCHEMBL12266321 0.81 LPL (0.40) LPLLIPGLYPLA1LYPLA2KMT2A
SCHEMBL12270597 0.80 LYPLA1 (0.45) LYPLA1LYPLA2HTR1BCARM1PRMT1
SCHEMBL12270810 0.80 LYPLA1 (0.32) LYPLA1LYPLA2HTR1BALDH1A1HPGD
SCHEMBL12270299 0.79 ALDH1A1 (0.40) LYPLA1LYPLA2ALDH1A1MAPK1CARM1
SCHEMBL12266335 0.78 LYPLA1 (0.58) LPLLIPGLYPLA1LYPLA2KMT2A

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-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
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 — — 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 (2 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 LPL 4172/4885LIPG 4353/4885LYPLA1 1153/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 LPL 4853/4885LIPG 4845/4885LYPLA1 4548/4885

“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.

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