SCHEMBL12266310

SCHEMBL12266310

CCNCOB(c1ccccc1)c1ccc(COCc2ccc(B(OCCNC)c3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LYPLA1 O75608 1/20 0.54
▸ LYPLA2 O95372 1/20 0.54
▸ TSHR P16473 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TRPM2 O94759 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HTR1B P28222 2/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ HRH1 P35367 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 0.80 LYPLA1 (0.48) LYPLA1LYPLA2TSHRCYP1A2CYP3A4
SCHEMBL12270835 0.80 LYPLA1 (0.53) LYPLA1LYPLA2TSHRCYP1A2CYP3A4
SCHEMBL18782421 0.78 KDM4E (0.57) LYPLA1LYPLA2TSHRCYP1A2CYP3A4
SCHEMBL12266342 0.78 LYPLA1 (0.50) LYPLA1LYPLA2MEN1KMT2AHTR1B
SCHEMBL12270720 0.76 LYPLA1 (0.49) LYPLA1LYPLA2TSHRCYP1A2CYP3A4
SCHEMBL12266290 0.74 CYP1A2 (0.49) LYPLA1LYPLA2TSHRCYP1A2CYP3A4
SCHEMBL12270597 0.73 LYPLA1 (0.45) LYPLA1LYPLA2HTR1B
SCHEMBL1554914 0.71 TSHR (0.73) LYPLA1LYPLA2TSHRCYP1A2CYP3A4
SCHEMBL12266426 0.71 KDM4E (0.42) LYPLA1LYPLA2TSHRCYP1A2CYP3A4
SCHEMBL12266295 0.71 LTA4H (0.51) LYPLA1LYPLA2TSHRCYP1A2CYP3A4

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-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 — — 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 (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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 LYPLA1 4548/4885LYPLA2 4342/4885TSHR 977/4885

“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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