SCHEMBL13802437

SCHEMBL13802437

Cc1c(CC(=O)O)c2ccccc2n1C(=O)C1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
PTGDR2 Q9Y5Y4 4/20 0.49
ELANE P08246 1/20 0.47
PTGIR P43119 5/20 0.45
EGFR P00533 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PLA2G2A P14555 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
SCHEMBL13802385 0.99 ABCB1 (0.55) ABCB1PTGS1PTGS2PTGDR2ELANE
SCHEMBL13802411 0.97 ABCB1 (0.56) ABCB1PTGS1PTGS2PTGDR2ELANE
SCHEMBL13802413 0.95 ABCB1 (0.58) ABCB1PTGS1PTGS2PTGDR2PTGIR
SCHEMBL2005833 0.83 PTGS2 (0.57) ABCB1PTGS1PTGS2PTGDR2LMNA
SCHEMBL2004074 0.81 PTGS1 (0.58) ABCB1PTGS1PTGS2PTGDR2LMNA
SCHEMBL2002180 0.81 AKR1C3 (0.65) ABCB1PTGS1PTGS2PTGDR2LMNA
SCHEMBL2008730 0.80 AKR1C3 (0.64) ABCB1PTGS1PTGS2PTGDR2LMNA
SCHEMBL7148621 0.80 MAPT (0.52) ELANECYP1A2CYP2D6TSHRNPSR1
SCHEMBL2010113 0.79 AKR1C3 (0.65) ABCB1PTGS1PTGS2PTGDR2LMNA
SCHEMBL13814103 0.78 MAPT (0.53) ELANELMNACYP1A2CYP2D6TSHR

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 ABCB1 139/4885PTGS1 2198/4885PTGS2 2066/4885

“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.