SCHEMBL3547733

SCHEMBL3547733

CNc1ccc(C(=O)O)cc1OCCOC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.51
HCAR3 P49019 2/20 0.47
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HTT P42858 3/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.44
LRRK2 Q5S007 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL1436418 0.83 POLB (0.64) POLBCASP6TSHRCA12CA1
SCHEMBL881352 0.81 ALDH1A1 (0.52) PTGER4POLBCASP6TSHRCA12
SCHEMBL2343153 0.81 CA12 (0.65) HCAR3TSHRCA12CA1CA2
SCHEMBL23792950 0.80 TSHR (0.50) POLBCASP6TSHRCA12CA1
SCHEMBL20982590 0.80 CA12 (0.50) POLBCASP6TSHRCA12CA1
SCHEMBL6939685 0.80 TSHR (0.71) POLBCASP6TSHRCA12CA1
SCHEMBL7358447 0.80 CA12 (0.69) POLBCASP6TSHRCA12CA1
SCHEMBL12876992 0.79 POLB (0.49) PTGER4POLBCASP6TSHRCA12
SCHEMBL10381364 0.79 FABP4 (0.49) POLBCASP6TSHRCA12CA1
SCHEMBL1346383 0.79 POLB (0.49) PTGER4POLBCASP6TSHRCA12

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-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 PTGER4 698/4885HCAR3 1618/4885POLB 3906/4885

“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.