SCHEMBL12266295

SCHEMBL12266295

CNCCOB(c1ccccc1)c1ccc(Oc2ccc(B(OCCNC)c3ccc(CO)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.51
▸ LYPLA1 O75608 1/20 0.42
▸ LYPLA2 O95372 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HTR1B P28222 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TRPM2 O94759 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTR1D P28221 1/20 0.40

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
SCHEMBL13476024 0.86 LTA4H (0.49) LTA4HLYPLA1LYPLA2L3MBTL1KDM4E
SCHEMBL12270720 0.82 LYPLA1 (0.49) LTA4HLYPLA1LYPLA2L3MBTL1KDM4E
SCHEMBL12266297 0.82 LYPLA1 (0.65) LTA4HLYPLA1LYPLA2KDM4EALDH1A1
SCHEMBL18782421 0.81 KDM4E (0.57) LYPLA1LYPLA2L3MBTL1KDM4EHTR1B
SCHEMBL12266342 0.81 LYPLA1 (0.50) LTA4HLYPLA1LYPLA2L3MBTL1HTR1B
SCHEMBL12271034 0.80 LYPLA1 (0.48) LYPLA1LYPLA2L3MBTL1KDM4EHTR1B
SCHEMBL16151505 0.80 KDM4E (0.55) LTA4HLYPLA1LYPLA2KDM4EALDH1A1
SCHEMBL12266290 0.77 CYP1A2 (0.49) LYPLA1LYPLA2L3MBTL1KDM4EHTR1B
SCHEMBL13383648 0.77 DRD4 (0.46) LYPLA1LYPLA2KDM4EALDH1A1MEN1
SCHEMBL2404635 0.77 HTR1D (0.32) LYPLA1LYPLA2KDM4EHTR1BALDH1A1

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 LTA4H 4660/4885LYPLA1 4548/4885LYPLA2 4342/4885

“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.

Send feedback