SCHEMBL9896517

SCHEMBL9896517

O=C(O)C(Cc1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.57
PTGS2 P35354 4/20 0.57
CPA1 P15085 1/20 0.50
PPARA Q07869 3/20 0.49
PPARD Q03181 1/20 0.49
ESR1 P03372 4/20 0.49
ESR2 Q92731 3/20 0.49
PTPN1 P18031 2/20 0.48
P4HTM Q9NXG6 1/20 0.47
PPARG P37231 2/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
AKR1C3 P42330 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
ALB P02768 1/20 0.46
ALOX5 P09917 1/20 0.46
RARB P10826 1/20 0.46
ADRB3 P13945 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL4664796 0.93 PPARA (0.56) PTGS1PTGS2CPA1PPARAPPARD
SCHEMBL27525650 0.88 CHRM1 (0.47) PTGS1PTGS2CPA1PPARAPPARD
SCHEMBL29174149 0.87 LDHA (0.59) PTGS1PTGS2PPARAPPARDPPARG
SCHEMBL6005258 0.87 PTPN1 (0.49) PTGS1PTGS2CPA1PPARAPPARD
SCHEMBL9896010 0.86 EPHX2 (0.51) PTGS1PTGS2ESR2CYP2C9AKR1C3
SCHEMBL6005803 0.84 PPARA (0.50) PTGS1PTGS2PPARAPPARDESR1
SCHEMBL8873187 0.83 SLC1A1 (0.56) PTGS1PTGS2PPARAPPARDP4HTM
SCHEMBL27991442 0.83 EPHX1 (0.58) PPARAP4HTMPPARGEPHX1ALDH1A1
SCHEMBL9895819 0.83 KMT2A (0.52) PTGS1PTGS2PPARAESR1ESR2
SCHEMBL30371988 0.82 PTGS1 (0.44) PTGS1PTGS2AKR1C3AKR1C2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 PTGS1 1171/4885PTGS2 1485/4885CPA1 2496/4885

“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.