SCHEMBL4876849

SCHEMBL4876849

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.50
KCNA3 P22001 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
HCAR2 Q8TDS4 1/20 0.42
ELOVL1 Q9BW60 1/20 0.42
KDM1A O60341 1/20 0.41
POLB P06746 1/20 0.41

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 0.90 ADAM17 (0.56) ADAM17MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4878231 0.87 HCAR2 (0.46) ADAM17KCNA3MEN1KMT2AALDH1A1
SCHEMBL2846322 0.87 ADAM17 (0.53) ADAM17MEN1KMT2AALDH1A1HDAC3
SCHEMBL30683829 0.87 ADAM17 (0.53) ADAM17MEN1KMT2AALDH1A1HDAC3
SCHEMBL11865726 0.86 PDE4A (0.55) ADAM17KCNA3MEN1KMT2AALDH1A1
SCHEMBL8585754 0.86 ADAM17 (0.52) ADAM17MEN1KMT2AALDH1A1HDAC3
SCHEMBL11855848 0.85 ADAM17 (0.47) ADAM17MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4880472 0.85 STS (0.42) ADAM17KCNA3ALDH1A1SIGMAR1HCAR2
SCHEMBL5470501 0.83 OPRM1 (0.50) ADAM17MEN1KMT2AALDH1A1HDAC3
SCHEMBL16287573 0.82 KCNA3 (0.48) KCNA3KMT2AALDH1A1SMN1; SMN2POLB

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 4 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
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 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 (2 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 4084/4885KCNA3 1959/4885MEN1 3740/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 ADAM17 3517/4885KCNA3 951/4885MEN1 3200/4885

“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.