SCHEMBL2888037

SCHEMBL2888037

CCCCCC(Cl)c1ccc(COc2cc(F)ccc2CCNO)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.36
FFAR1 O14842 4/20 0.36
SMPD1 P17405 1/20 0.34
CCR5 P51681 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
TRPV6 Q9H1D0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2886631 0.70 FFAR4 (0.46) FFAR4FFAR1TRPV6CNR1CNR2
SCHEMBL2888042 0.66 SLC6A4 (0.39) LMNAKMT2A
SCHEMBL28429634 0.65 HTR7 (0.39) LMNAKMT2ASMN1; SMN2
SCHEMBL9016024 0.64 ESR1 (0.46) TRPV1ALDH1A1KDM4ELMNA
SCHEMBL12377642 0.64 TSHR (0.46) ALDH1A1CNR1CNR2HTTKMT2A
SCHEMBL15777915 0.63 FFAR4 (0.47) FFAR4FFAR1TRPV6ALDH1A1PKM
SCHEMBL9016039 0.63 ESR1 (0.48) TRPV1ALDH1A1KDM4ELMNAHTT
SCHEMBL11202793 0.63 TSHR (0.37) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL74805 0.62 TYR (0.42) ALDH1A1CNR1CNR2KMT2A
SCHEMBL73794 0.61 CNR2 (0.44) ALDH1A1CNR1CNR2KMT2A

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-7700653-B2 Halogen-substituted aminodicarboxylic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-20 US disclosed
US-7067694-B2 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-05-25 US disclosed
US-20040092593-A1 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-05-13 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-20040092593-A1 Halogen-substituted amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BCAT2, DDC, AADAT FFAR4 321/4885FFAR1 199/4885SMPD1 4303/4885
US-20060111444-A1 Novel halogen-substituted aminodicarboxylic acid derivatives FABP3, PPARD, FABP1 FFAR4 45/4885FFAR1 53/4885SMPD1 2556/4885

“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.