SCHEMBL5748613

SCHEMBL5748613

CC1(C)CCCC(O)c2c(Br)cccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.33
RXRA P19793 1/20 0.32
MAP3K14 Q99558 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL34464596 0.80 HTR2A (0.35) PDE7A
SCHEMBL5755544 0.73 OPRM1 (0.43) TRPA1
SCHEMBL16713163 0.68 PDE7A (0.38) PDE7A
SCHEMBL29531735 0.66 TP53 (0.44) PDE7ARXRA
SCHEMBL1684016 0.66 TP53 (0.44) PDE7ARXRA
SCHEMBL17397762 0.64 P2RX7 (0.37)
SCHEMBL31722382 0.64 P2RX7 (0.37)
SCHEMBL18986893 0.64 P2RX7 (0.37)
SCHEMBL12584160 0.64 P2RX7 (0.37)
SCHEMBL31284751 0.64 LDHA (0.34) PDE7ARXRA

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 PDE7A 3383/4885RXRA 2166/4885MAP3K14 4397/4885

“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.