SCHEMBL4872683

SCHEMBL4872683

COC(=O)C1(c2cccc(OC)c2)CCC(O)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.52
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC22A1 O15245 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM1A O60341 1/20 0.43
POLB P06746 1/20 0.43
SLC6A4 P31645 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SLC6A2 P23975 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL27736564 0.89 ADAM17 (0.56) ADAM17ALDH1A1MEN1KMT2ASLC22A1
SCHEMBL30683829 0.86 ADAM17 (0.53) ADAM17ALDH1A1MEN1KMT2ASLC22A1
SCHEMBL2846322 0.86 ADAM17 (0.53) ADAM17ALDH1A1MEN1KMT2ASLC22A1
SCHEMBL4878265 0.85 ALDH1A1 (0.43) ADAM17ALDH1A1MEN1KMT2ASLC22A1
SCHEMBL4882566 0.85 HDAC4 (0.48) ADAM17ALDH1A1MEN1KMT2ASLC22A1
SCHEMBL4868377 0.85 ADAM17 (0.48) ADAM17ALDH1A1MEN1KMT2ACRHBP
SCHEMBL8585754 0.85 ADAM17 (0.52) ADAM17ALDH1A1MEN1KMT2ASLC22A1
SCHEMBL4878256 0.83 ALDH1A1 (0.43) ADAM17ALDH1A1MEN1KMT2ASLC22A1
SCHEMBL19509382 0.83 HSD11B1 (0.51) MEN1KMT2ASLC22A1SLC6A4OPRM1
SCHEMBL5470501 0.82 OPRM1 (0.50) ADAM17ALDH1A1MEN1KMT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 ADAM17 4084/4885ALDH1A1 2899/4885MEN1 3740/4885

“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.