SCHEMBL5750071

SCHEMBL5750071

CC(C)(C)COc1cccc(CC(NC(=O)c2cccc3c2C=CCCC3)C(O)c2cccc(Cl)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.37
ADRB3 P13945 7/20 0.34
ADRB1 P08588 5/20 0.34
HTT P42858 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
PTGER4 P35408 1/20 0.32
HTRA1 Q92743 2/20 0.31
UGCG Q16739 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL5751663 0.87 CTSL (0.39) CTSLPTGER4
SCHEMBL5748991 0.87 UGCG (0.36) CTSLADRB3ADRB1CNR1CNR2
SCHEMBL5752652 0.86 CTSL (0.38) CTSLADRB3ADRB1CNR1CNR2
SCHEMBL5751398 0.86 CNR1 (0.37) CTSLADRB3ADRB1CNR1CNR2
SCHEMBL5752534 0.85 CTSL (0.38) CTSLADRB3ADRB1CNR1CNR2
SCHEMBL5752403 0.82 CTSL (0.36) CTSLADRB3ADRB1CNR1CNR2
SCHEMBL5751578 0.82 UGCG (0.39) HTTUGCGLMNA
SCHEMBL5750783 0.81 HTT (0.41) CTSLADRB3ADRB1HTTCNR1
SCHEMBL5752438 0.80 CTSL (0.36) CTSLCNR2PTGER4
SCHEMBL7125104 0.80 HTR1A (0.37) HTTUGCGALDH1A1

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 CTSL 2240/4885ADRB3 85/4885ADRB1 57/4885

“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.