SCHEMBL13009609

SCHEMBL13009609

NCCc1ccccc1OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.63
PRMT1 Q99873 3/20 0.63
HTR1A P08908 2/20 0.60
DRD2 P14416 2/20 0.60
IDO1 P14902 2/20 0.53
AGXT P21549 2/20 0.53
ABCB1 P08183 3/20 0.52
HRH1 P35367 1/20 0.51
LTA4H P09960 2/20 0.51
PLA2G2A P14555 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
DHFR P00374 1/20 0.49
PTGER1 P34995 1/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49

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
Hydrochloric Acid SCHEMBL2985271 0.98 CARM1 (0.65) CARM1PRMT1HTR1ADRD2IDO1
SCHEMBL1412912 0.90 HTR1A (0.73) HTR1ADRD2ABCB1HRH1LTA4H
SCHEMBL2989204 0.89 HTR1A (0.77) HTR1ADRD2ABCB1HRH1LTA4H
SCHEMBL16825351 0.80 HTR1A (0.69) HTR1ADRD2ABCB1LTA4HPLA2G2A
SCHEMBL2985019 0.80 CARM1 (0.55) CARM1PRMT1HTR1ADRD2IDO1
SCHEMBL17583859 0.77 LTA4H (0.58) HTR1ADRD2ABCB1HRH1LTA4H
SCHEMBL19141517 0.77 RXRA (0.61) CARM1PRMT1HTR1ADRD2TAAR1
SCHEMBL20249529 0.77 FFAR1 (0.65) LTA4HPLA2G2A
SCHEMBL2994273 0.76 CARM1 (0.51) CARM1PRMT1HTR1ADRD2IDO1
SCHEMBL8201408 0.76 TRPM8 (0.64) HTR1ADRD2ABCB1HRH1LTA4H

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 8 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-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-7781470-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-24 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 US disclosed
US-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2009-08-13 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 (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-20090203906-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS CARM1 2851/4885PRMT1 1880/4885HTR1A 1924/4885
US-20100317854-A1 NOVEL AMINODICARBOXYLIC ACID DERIVATIVES HAVING PHARMACEUTICAL PROPERTIES DDC, AADAT, PTGIS CARM1 2851/4885PRMT1 1880/4885HTR1A 1924/4885

“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.