SCHEMBL5752844

SCHEMBL5752844

CC(F)(F)c1cccc(CC(C(=O)O)C(O)c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.45
PPARG P37231 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MDM2 Q00987 1/20 0.37
PPARA Q07869 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 2/20 0.36
NR1I2 O75469 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL5751805 0.90 SLC1A1 (0.47) SLC1A1PPARGHTR2AHTR2CHTR2B
SCHEMBL5749920 0.85 KMT2A (0.43) PPARGHTR2AAKR1C3AKR1C2PPARA
SCHEMBL5751666 0.84 SLC1A1 (0.43) SLC1A1PPARGPPARAPTGS2KDM4E
SCHEMBL5754855 0.81 SLC1A1 (0.48) SLC1A1PPARGPPARAPTGS2KDM4E
SCHEMBL5750636 0.81 HTR2A (0.47) SLC1A1HTR2AHTR2CHTR2BMDM2
SCHEMBL5749740 0.81 SLC1A1 (0.43) SLC1A1PPARGPPARAKDM4EALDH1A1
SCHEMBL5752238 0.81 SLC1A1 (0.44) SLC1A1PPARGAKR1C3AKR1C2PPARA
SCHEMBL5751725 0.80 SLC1A1 (0.44) SLC1A1PPARGPPARAKDM4EALDH1A1
SCHEMBL5752490 0.80 SLC1A1 (0.44) SLC1A1PPARGPPARAKDM4EALDH1A1
SCHEMBL5753245 0.80 SLC1A1 (0.44) SLC1A1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US claimed
US-6323172-B1 AQUEOUS COMPOSITION COMPRISING FABRIC SOFTENER, SELECTED PRINCIPAL SOLVENT, LOW MOLECULAR WEIGHT WATER SOLUBLE SOLVENT TO IMPROVE CLARITY, WATER SOLUBLE CALCIUM AND/OR MAGNESIUM SALT THE PROCTER & GAMBLE COMPANY 2001-11-27 US claimed
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 SLC1A1 343/4885PPARG 905/4885HTR2A 705/4885

“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.