SCHEMBL1165669

SCHEMBL1165669

Nc1ccc(C(=O)OCc2ccccc2)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.67
MAPT P10636 3/20 0.61
CYP3A4 P08684 3/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A3 Q01959 2/20 0.61
LMNA P02545 2/20 0.61
TP53 P04637 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CHRM1 P11229 1/20 0.61
TBXA2R P21731 1/20 0.61
PDE4A P27815 1/20 0.61
ADRA1A P35348 1/20 0.61
KDR P35968 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
ESR2 Q92731 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PTPN1 P18031 1/20 0.53

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
SCHEMBL23812434 0.88 ALDH1A1 (0.63) TDP1MAPTCYP3A4SLC6A2SLC6A3
SCHEMBL4758455 0.86 TDP1 (0.73) TDP1SLC6A2SLC6A3LMNAALDH1A1
SCHEMBL15341181 0.84 TDP1 (0.74) TDP1CYP3A4SLC6A2SLC6A3LMNA
SCHEMBL12369122 0.84 ALDH1A1 (0.54) TDP1MAPTCYP3A4SLC6A2SLC6A3
SCHEMBL2146000 0.84 ALDH1A1 (0.54) TDP1MAPTCYP3A4SLC6A2SLC6A3
SCHEMBL5063447 0.84 CHRM2 (0.54) TDP1MAPTCYP3A4SLC6A2SLC6A3
SCHEMBL20695025 0.83 ALDH1A1 (0.57) TDP1MAPTCYP3A4SLC6A2SLC6A3
SCHEMBL27968276 0.83 CYP3A4 (0.56) TDP1MAPTCYP3A4SLC6A2SLC6A3
SCHEMBL571739 0.82 HTT (0.57) TDP1MAPTCYP3A4SLC6A2SLC6A3
SCHEMBL6833259 0.82 TDP1 (0.67) TDP1CYP3A4SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101878027-B Multi-targeted compounds with activity at PPAR and cannabinoid receptors GIULIANI INT LTD 2013-01-16 CN disclosed
US-20110039808-A1 Multitarget Compounds Active at a PPAR and Cannabinoid Receptor NOGRA PHARMA LIMITED (IE) 2011-02-17 US disclosed
US-20110039808-A1 Multitarget Compounds Active at a PPAR and Cannabinoid Receptor NOGRA PHARMA LIMITED (IE) 2011-02-17 US disclosed
US-20110039808-A1 Multitarget Compounds Active at a PPAR and Cannabinoid Receptor NOGRA PHARMA LIMITED (IE) 2011-02-17 US disclosed
CN-101878027-A Multi-targeted compounds with activity at PPAR and cannabinoid receptors GIULIANI INT LTD 2010-11-03 CN disclosed
EP-2222287-A2 MULTITARGET COMPOUNDS ACTIVE AT A PPAR AND CANNABINOID RECEPTOR Giuliani International Limited (IE) 2010-09-01 EP disclosed
WO-2009080821-A2 RECEPTOR TARGETING LIGANDS GIULIANI INTERNATIONAL LIMITED (IE) 2009-07-02 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-20110039808-A1 Multitarget Compounds Active at a PPAR and Cannabinoid Receptor PPARA, PPARG, PPARD TDP1 4478/4885MAPT 3469/4885CYP3A4 391/4885

“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.