SCHEMBL15087102

SCHEMBL15087102

C[C@H](C(=O)O)c1ccc2c(c1)CCC(O)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.44
PTGS1 P23219 5/20 0.44
CYP1A2 P05177 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
AKR1C3 P42330 6/20 0.41
AKR1C2 P52895 6/20 0.41
CDC42 P60953 1/20 0.41
RAC1 P63000 1/20 0.41
TSHR P16473 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
OPRK1 P41145 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4D Q08499 1/20 0.40
APP P05067 1/20 0.40
ABCC4 O15439 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
SCHEMBL12376492 0.84 CYP1A2 (0.46) CYP1A2CYP11B1CYP11B2TSHROPRK1
SCHEMBL8681937 0.82 DRD3 (0.60) KMT2A
SCHEMBL11529154 0.80 PTGS2 (0.47) PTGS2PTGS1CYP1A2AKR1C3AKR1C2
SCHEMBL27559442 0.79 PTGS2 (0.50) PTGS2PTGS1CYP1A2AKR1C3AKR1C2
SCHEMBL29111695 0.79 PTGS2 (0.50) PTGS2PTGS1CYP1A2AKR1C3AKR1C2
Isoprofen SCHEMBL287354 0.78 PTGS2 (0.46) PTGS2PTGS1CYP1A2AKR1C3AKR1C2
SCHEMBL12376490 0.78 KARS1 (0.42) CYP1A2CYP11B1CYP11B2TSHRKMT2A
Isoprofen SCHEMBL11727169 0.77 PTGS2 (0.45) PTGS2PTGS1CYP1A2AKR1C3AKR1C2
Isoprofen SCHEMBL11377622 0.77 PTGS2 (0.45) PTGS2PTGS1CYP1A2AKR1C3AKR1C2
SCHEMBL1346172 0.76 PTGS2 (0.44) PTGS2PTGS1CYP1A2AKR1C3AKR1C2

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-20130172558-A1 NAPROXEN-BASED CHIRAL COMPOUNDS AND LIQUID CRYSTAL DISPLAY APPLICATIONS CITIZEN FINETECH MIYOTA CO., LTD. (JP) 2013-07-04 US disclosed
US-20130172558-A1 NAPROXEN-BASED CHIRAL COMPOUNDS AND LIQUID CRYSTAL DISPLAY APPLICATIONS CITIZEN FINETECH MIYOTA CO., LTD. (JP) 2013-07-04 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-20130172558-A1 NAPROXEN-BASED CHIRAL COMPOUNDS AND LIQUID CRYSTAL DISPLAY APPLICATIONS CRY1, CRY2, ALOX5 PTGS2 553/4885PTGS1 624/4885CYP1A2 61/4885

“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.