SCHEMBL4258794

SCHEMBL4258794

O=C1CC(c2ccccc2)(c2ccccc2)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.45
GOPC Q9HD26 1/20 0.45
LDHA P00338 4/20 0.44
LDHB P07195 4/20 0.44
EGFR P00533 2/20 0.42
CYP2C9 P11712 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
HSD11B1 P28845 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
HCAR3 P49019 1/20 0.35

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
SCHEMBL9721330 0.80 MEN1 (0.45) CFTRGOPCCYP2C9MEN1KMT2A
SCHEMBL18981138 0.79 EGFR (0.57) CFTRGOPCLDHALDHBEGFR
SCHEMBL28670431 0.76 CFTR (0.50) CFTRGOPCLDHALDHBNPSR1
SCHEMBL8122274 0.74 CFTR (0.39) CFTRGOPCEGFRCYP2C9MEN1
SCHEMBL29818629 0.74 SIGMAR1 (0.47) CFTRGOPCLDHALDHBCYP2C9
SCHEMBL11256545 0.74 SIGMAR1 (0.47) CFTRGOPCLDHALDHBCYP2C9
SCHEMBL6604738 0.74 LDHA (0.43) CFTRGOPCLDHALDHBEGFR
SCHEMBL6604488 0.73 LDHA (0.52) CFTRGOPCLDHALDHBEGFR
SCHEMBL1325148 0.71 CFTR (0.37) CFTRGOPCLDHALDHBEGFR
SCHEMBL24565312 0.70 EGFR (0.49) CFTRGOPCLDHAEGFRCYP2C9

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-20090124787-A1 Method for Producing Polyhydroxyalkanoates BASF AKTIENGESELLSCHAFT (DE) 2009-05-14 US disclosed
EP-1874845-B1 METHOD FOR PRODUCING POLYHYDROXYALKANOATES BASF SE (DE) 2008-08-27 EP disclosed
EP-1874845-A2 METHOD FOR PRODUCING POLYHYDROXYALKANOATES BASF AKTIENGESELLSCHAFT (DE) 2008-01-09 EP disclosed
WO-2006108829-A2 METHOD FOR PRODUCING POLYHYDROXYALKANOATES BASF AKTIENGESELLSCHAFT (DE) 2006-10-19 WO disclosed
WO-2006058681-A2 METHOD FOR PRODUCING ENANTIOMER-ENRICHED LACTONES BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 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-20090124787-A1 Method for Producing Polyhydroxyalkanoates LDHB, ACADM, HSD17B12 CFTR 1277/4885GOPC 4130/4885LDHA 10/4885

“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.