SCHEMBL12266426

SCHEMBL12266426

CCc1cccc(B(OCCNC)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TRPM2 O94759 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTR1B P28222 3/20 0.39
▸ HTR1D P28221 2/20 0.39
▸ LYPLA1 O75608 1/20 0.39
▸ LYPLA2 O95372 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39

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 0.87 LYPLA1 (0.48) KDM4EALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL12270753 0.86 DRD4 (0.44) KDM4EALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL18782421 0.84 KDM4E (0.57) KDM4EALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL12266440 0.84 KDM4E (0.45) KDM4EALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL12266161 0.82 HPGD (0.67) KDM4EALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL12266416 0.80 LYPLA1 (0.62) KDM4EALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL12266290 0.77 CYP1A2 (0.49) KDM4EALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL17698460 0.76 KDM4E (0.47) KDM4EALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL12266420 0.75 KDM4E (0.55) KDM4EALDH1A1HRH1SIGMAR1SMN1; SMN2
SCHEMBL12266320 0.75 LPL (0.38) KDM4EALDH1A1CYP1A2CYP3A4TSHR

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 KDM4E 1022/4885ALDH1A1 4540/4885CYP1A2 3629/4885
US-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 KDM4E 3037/4885ALDH1A1 4802/4885CYP1A2 3433/4885

“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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