SCHEMBL4522017

SCHEMBL4522017

O=C(O)CCC1Cc2ccccc2O1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
FFAR4 Q5NUL3 2/20 0.46
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TSHR P16473 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL7464234 0.86 HTT (0.47) HTTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL15210953 0.84 HTT (0.60) HTTFFAR4FFAR1
SCHEMBL15210950 0.84 HTT (0.60) HTTFFAR4FFAR1
SCHEMBL24113076 0.83 HTT (0.46) HTTALDH1A1HPGDPOLBHRH3
SCHEMBL31061821 0.83 HTT (0.46) HTTALDH1A1HPGDPOLBHRH3
SCHEMBL7821097 0.83 HTT (0.46) HTTALDH1A1HPGDPOLBHRH3
SCHEMBL7798235 0.80 FFAR4 (0.52) HTTFFAR4FFAR1
SCHEMBL11535632 0.80 HRH3 (0.47) HPGDHRH3TSHRAOC2MAOA
SCHEMBL7795998 0.79 TDP1 (0.58) HTTFFAR4FFAR1ALDH1A1POLB
SCHEMBL7788802 0.79 FFAR4 (0.51) HTTFFAR4FFAR1

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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO disclosed
EP-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 EP 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 HTT 3883/4885FFAR4 156/4885FFAR1 137/4885

“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.