SCHEMBL5751759

SCHEMBL5751759

O=C(NC(Cc1ccc(F)cc1)C(O)c1ccc(F)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.41
ACACB O00763 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PSMB5 P28074 1/20 0.40
CCR5 P51681 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
UGCG Q16739 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5753157 0.92 UGCG (0.41) RAB9ALMNATSHRKMT2APOLB
SCHEMBL5750265 0.92 UGCG (0.41) RAB9ALMNATSHRKMT2APOLB
SCHEMBL5749651 0.91 ACACB (0.48) LMNAKMT2APOLBACACBSMN1; SMN2
SCHEMBL5752726 0.91 UGCG (0.41) TSHRKMT2ACCR5UGCG
SCHEMBL5752625 0.84 ALDH1A1 (0.42) LMNAALDH1A1MAPT
SCHEMBL5752607 0.81 UGCG (0.41) LMNAUGCGALDH1A1CYP2C9
SCHEMBL16452914 0.78 LMNA (0.56) LMNAKMT2APSMB5ALDH1A1
SCHEMBL16452933 0.78 LMNA (0.56) LMNAKMT2APSMB5ALDH1A1
SCHEMBL16452925 0.76 LMNA (0.57) LMNAKMT2APOLBPSMB5ALDH1A1
SCHEMBL5752352 0.76 UGCG (0.52) RAB9APOLBSMN1; SMN2UGCG

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 RAB9A 2516/4885NPC1 28/4885LMNA 2989/4885

“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.