SCHEMBL12270751

SCHEMBL12270751

CN(C)CCOB(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYPLA1 O75608 1/20 0.55
LYPLA2 O95372 1/20 0.55
HTR1B P28222 5/20 0.50
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
TRPM2 O94759 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1D P28221 2/20 0.38

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
SCHEMBL12266369 0.91 LYPLA1 (0.48) LYPLA1LYPLA2HTR1BADRB2ADRB1
SCHEMBL13383569 0.89 LYPLA1 (0.50) LYPLA1LYPLA2HTR1BADRB2ADRB1
SCHEMBL2398202 0.83 HTR1B (0.55) LYPLA1LYPLA2HTR1BADRB2ADRB1
SCHEMBL2397641 0.79 LYPLA1 (0.57) LYPLA1LYPLA2HTR1BADRB2ADRB1
SCHEMBL12266287 0.74 LYPLA1 (0.70) LYPLA1LYPLA2KDM4ECYP1A2TSHR
SCHEMBL12270756 0.74 PPARG (0.44) CYP1A2MEN1KMT2ATDP1CYP2D6
SCHEMBL13476010 0.74 LYPLA1 (0.61) LYPLA1LYPLA2HTR1BKDM4ECYP1A2
SCHEMBL12266368 0.73 ALDH1A1 (0.49) HTR1BKDM4ECYP1A2TSHRALDH1A1
SCHEMBL17698458 0.73 LYPLA1 (0.64) LYPLA1LYPLA2KDM4ECYP1A2TSHR
SCHEMBL12270908 0.73 LYPLA1 (0.78) LYPLA1LYPLA2KDM4ECYP1A2TSHR

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 6 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-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
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
WO-2010018836-A2 POLYGLUTAMINE AGGREGATION INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
WO-2010018837-A2 PROTEIN CROSS-LINKING INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO 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 LYPLA1 1153/4885LYPLA2 1988/4885HTR1B 2817/4885

“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.