SCHEMBL5753155

SCHEMBL5753155

CC(C)c1ccc(CC(C(=O)O)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
PTGS1 P23219 4/20 0.47
PTGS2 P35354 4/20 0.47
LMNA P02545 2/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
CXCL8 P10145 1/20 0.47
TSHR P16473 1/20 0.47
AKR1C2 P52895 1/20 0.47

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
SCHEMBL5752733 0.92 KMT2A (0.48) KMT2APTGS1PTGS2LMNACYP2C9
SCHEMBL5751742 0.87 KMT2A (0.44) KMT2APTGS1PTGS2LMNACYP2C9
SCHEMBL5754855 0.85 SLC1A1 (0.48) KMT2APTGS2CYP2C9PPARGPPARA
SCHEMBL5750274 0.85 KMT2A (0.43) KMT2APTGS1PTGS2LMNACYP2C9
SCHEMBL5749180 0.85 LDHA (0.55) KMT2ALMNACYP2C9HTTPPARG
SCHEMBL5749920 0.83 KMT2A (0.43) KMT2APTGS1PTGS2LMNACYP2C9
SCHEMBL5749682 0.83 PPARG (0.44) KMT2AAKR1C3AKR1C2PPARGPPARA
SCHEMBL5751624 0.83 PPARG (0.44) KMT2AAKR1C3AKR1C2PPARGPPARA
SCHEMBL5751287 0.82 EPHX2 (0.47) KMT2ACYP2C9HTR2A
SCHEMBL5749813 0.81 PPARA (0.50) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP KMT2A 404/4885PTGS1 1529/4885PTGS2 2434/4885

“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.