SCHEMBL13611406

SCHEMBL13611406

C#CCN(Cc1ccc(OCCCC(=O)O)cc1OC)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ FABP5 Q01469 1/20 0.38
▸ FFAR4 Q5NUL3 4/20 0.37
▸ NR1H3 Q13133 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ FABP3 P05413 1/20 0.34
▸ FABP4 P15090 1/20 0.34

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
SCHEMBL13611409 0.91 PDK2 (0.38) KMT2AFABP5NR1H3MAOBALDH1A1
SCHEMBL15417653 0.88 MEN1 (0.44) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL13625096 0.82 MAOB (0.38) MAOB
SCHEMBL28901513 0.80 ALDH1A1 (0.46) KMT2AFABP5ALDH1A1LMNAHTT
SCHEMBL29363915 0.80 ALDH1A1 (0.46) KMT2AFABP5ALDH1A1LMNAHTT
SCHEMBL30883356 0.78 PTPN1 (0.38) KMT2AFABP5FFAR4PTPN1ALDH1A1
SCHEMBL28691528 0.77 PTPN1 (0.37) KMT2AFABP5FFAR4NR1H3PTPN1
SCHEMBL13010922 0.77 CNR1 (0.41) KMT2AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7169749 0.77 KMT2A (0.44) KMT2AFABP5FFAR4LMNAS1PR1
SCHEMBL17244742 0.76 CNR1 (0.43) NR1H3ALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623606-B2 Screening method for GPCR ligands MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2014-01-07 — — US disclosed
US-8623606-B2 Screening method for GPCR ligands MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2014-01-07 — — US disclosed
US-20090286259-A1 SCREENING METHOD FOR GPCR LIGANDS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2009-11-19 — — US disclosed
US-20090286259-A1 SCREENING METHOD FOR GPCR LIGANDS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2009-11-19 — — US disclosed
WO-2008022716-A2 SCREENING METHOD FOR GPCR LIGANDS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-02-28 — — 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-20090286259-A1 SCREENING METHOD FOR GPCR LIGANDS GPR139, GRK2, GPR27 KMT2A 3694/4885FABP5 332/4885FFAR4 141/4885

“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.

Send feedback