SCHEMBL5754855

SCHEMBL5754855

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.48
BACE1 P56817 3/20 0.43
CTSD P07339 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BCHE P06276 3/20 0.39
KMT2A Q03164 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5753155 0.85 KMT2A (0.49) KMT2APPARGPPARAPTGS2CYP2C9
SCHEMBL5751666 0.84 SLC1A1 (0.43) SLC1A1KDM4EALDH1A1KMT2ATRPM8
SCHEMBL5751076 0.84 SLC1A1 (0.45) SLC1A1KDM4EALDH1A1RXRARXRB
SCHEMBL5752317 0.82 SLC1A1 (0.43) SLC1A1KDM4EALDH1A1KMT2ATRPM8
SCHEMBL5752238 0.82 SLC1A1 (0.44) SLC1A1BACE1CTSDKDM4EALDH1A1
SCHEMBL5752844 0.81 SLC1A1 (0.45) SLC1A1BACE1KDM4EALDH1A1PPARG
SCHEMBL5751805 0.81 SLC1A1 (0.47) SLC1A1BCHEKMT2APPARGPPARA
SCHEMBL5752733 0.80 KMT2A (0.48) SLC1A1ALDH1A1KMT2APPARGPPARA
SCHEMBL5752561 0.80 ADRA2A (0.40) SLC1A1BACE1CTSDKDM4EALDH1A1
SCHEMBL5753722 0.80 FFAR1 (0.49) 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 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 SLC1A1 343/4885BACE1 835/4885CTSD 4290/4885

“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.