SCHEMBL3774515

SCHEMBL3774515

Cc1cc(CNCCc2ccccc2OCc2ccc(Br)cc2)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 2/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
BCHE P06276 4/20 0.49
PPARA Q07869 1/20 0.49
RXRA P19793 2/20 0.47
USP28 Q96RU2 1/20 0.47
USP25 Q9UHP3 1/20 0.47
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
CD274 Q9NZQ7 3/20 0.46
SLC2A1 P11166 1/20 0.45
TRPV6 Q9H1D0 1/20 0.45
RXRB P28702 1/20 0.45

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
SCHEMBL6932748 0.84 USP28 (0.47) HTTLMNAKDM4EKMT2ANPY1R
SCHEMBL2293341 0.81 BCHE (0.55) HTTLMNAKDM4EKMT2ANPY1R
SCHEMBL6242000 0.80 HTT (0.57) HTTLMNAKDM4EKMT2ANPY1R
SCHEMBL6243431 0.78 MPO (0.59) KMT2A
SCHEMBL8409883 0.76 PTGER1 (0.53) KMT2ARXRAPTGER1MEN1
SCHEMBL6932427 0.74 RXRA (0.42) KDM4EKMT2ABCHEPPARARXRA
SCHEMBL6240043 0.74 PTGER1 (0.40) BCHEPPARARXRAPTGER1PTGER4
SCHEMBL2987073 0.73 BCHE (0.57) HTTLMNAKDM4EKMT2ANPY1R
SCHEMBL8409884 0.72 RXRA (0.49) RXRAPTGER1
SCHEMBL8320852 0.72 PTGER1 (0.60) BCHERXRAPTGER1PTGER4PTGER3

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 1 patent. 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

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 HTT 4479/4885LMNA 1332/4885KDM4E 244/4885

“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.