SCHEMBL13461276

SCHEMBL13461276

CCCCOc1ccc(C(=O)O)cc1OCCCOC

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.58
SMPD1 P17405 4/20 0.58
TSHR P16473 2/20 0.57
POLB P06746 1/20 0.57
CASP6 P55212 1/20 0.57
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
TP53 P04637 1/20 0.55
PTPN11 Q06124 1/20 0.54
RARB P10826 1/20 0.51

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
SCHEMBL4023882 0.92 POLB (0.64) PLA2G4BSMPD1TSHRPOLBCASP6
SCHEMBL7336764 0.89 ALDH1A1 (0.67) PLA2G4BSMPD1TSHRPOLBCASP6
SCHEMBL13461243 0.88 KMT2A (0.56) SMPD1
SCHEMBL3884522 0.88 SMPD1 (0.68) PLA2G4BSMPD1TSHRALDH1A1HPGD
SCHEMBL89386 0.88 TSHR (0.69) PLA2G4BTSHR
SCHEMBL1750327 0.88 TSHR (0.74) PLA2G4BSMPD1TSHRALDH1A1HPGD
SCHEMBL88998 0.88 CA12 (0.67) SMPD1TSHRTP53
SCHEMBL30683868 0.88 TSHR (0.69) PLA2G4BTSHR
SCHEMBL9512861 0.88 ALDH1A1 (0.65) PLA2G4BSMPD1TSHRPOLBCASP6
SCHEMBL1199847 0.88 ALDH1A1 (0.69) PLA2G4BSMPD1TSHRPOLBCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 PLA2G4B 1981/4885SMPD1 1119/4885TSHR 634/4885

“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.