SCHEMBL13009602

SCHEMBL13009602

OCc1ccccc1OCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.74
DRD2 P14416 4/20 0.74
ABCB1 P08183 9/20 0.63
PTGER1 P34995 1/20 0.58
PTGER4 P35408 1/20 0.58
PTGER3 P43115 1/20 0.58
PTGER2 P43116 1/20 0.58
ABCG2 Q9UNQ0 2/20 0.56
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL692555 0.93 HTR1A (0.67) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL2985019 0.86 CARM1 (0.55) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL4183309 0.85 HTR1A (1.00) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL5641766 0.83 MAPT (0.61) HTR1ADRD2GAAMEN1ALDH1A1
SCHEMBL3268053 0.82 HTR1A (0.73) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL9340038 0.82 DRD2 (0.53) HTR1ADRD2ABCB1KDM4EMEN1
SCHEMBL2989204 0.81 HTR1A (0.77) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL4001205 0.81 DRD2 (0.57) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL15726355 0.80 PTGER1 (0.84) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL8406722 0.80 PTGER1 (0.84) HTR1ADRD2ABCB1PTGER1PTGER4

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-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-16 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 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-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS HTR1A 1924/4885DRD2 2331/4885ABCB1 967/4885

“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.