SCHEMBL5364121

SCHEMBL5364121

CCc1cccc(CCC(=O)O)c1OC

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.48
PTGER3 P43115 4/20 0.48
PTGER2 P43116 4/20 0.48
PTGER1 P34995 3/20 0.48
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 2/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
FFAR1 O14842 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 1/20 0.42
KEAP1 Q14145 1/20 0.41
DHFR P00374 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
PPARA Q07869 1/20 0.40
LMNA P02545 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
SCHEMBL16319477 0.86 POLB (0.55) PTGER4PTGER3PTGER2PTGER1POLB
SCHEMBL490691 0.85 CTSG (0.56) PTGER4PTGER3PTGER2PTGER1CTSG
SCHEMBL23964581 0.85 PTGER4 (0.60) PTGER4PTGER3PTGER2PTGER1POLB
SCHEMBL27747620 0.83 MEN1 (0.47) PTGER4PTGER3PTGER2PTGER1POLB
SCHEMBL7293717 0.83 KMT2A (0.49) PTGER4PTGER3PTGER2PTGER1POLB
SCHEMBL17743633 0.83 POLB (0.49) PTGER4PTGER3PTGER2PTGER1POLB
SCHEMBL7885276 0.83 CTSG (0.55) PTGER4PTGER3PTGER2PTGER1CTSG
SCHEMBL8408142 0.81 GABRA1 (0.50) NPSR1L3MBTL1
SCHEMBL7796396 0.81 NR1H4 (0.47) PTGER4PTGER3PTGER2PTGER1POLB
SCHEMBL3408740 0.80 KMT2A (0.54) PTGER4PTGER3PTGER2PTGER1POLB

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-7173139-B2 Enantioselective 1,4-addition of aromatic nucleophiles to α,β-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
US-20030236438-A1 Enantioselective 1,4-addition of aromatic nucleophiles to alpha,beta-unsaturated aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-12-25 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-20030236438-A1 Enantioselective 1,4-addition of aromatic nucleophiles to alpha,beta-unsaturated aldehydes using chiral organic catalysts NAT1, AOX1, ALDH7A1 PTGER4 1505/4885PTGER3 2259/4885PTGER2 2662/4885

“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.