SCHEMBL4876677

SCHEMBL4876677

COc1cccc(C2(C(=O)O)CCC(Oc3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.47
ALDH1A1 P00352 2/20 0.46
EPHX2 P34913 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
APP P05067 2/20 0.44
CYP2C9 P11712 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
MAPT P10636 1/20 0.42
AKR1C1 Q04828 1/20 0.42
ADAM17 P78536 1/20 0.42
GRIN2B Q13224 2/20 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
SCHEMBL4882566 0.90 HDAC4 (0.48) HDAC4ALDH1A1EPHX2KMT2AMEN1
SCHEMBL1465003 0.85 KMT2A (0.50) ALDH1A1KMT2AMEN1OPRM1OPRD1
SCHEMBL4880013 0.85 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1APPCYP2C9
SCHEMBL4880349 0.84 HDAC4 (0.46) HDAC4ALDH1A1EPHX2KMT2AMEN1
SCHEMBL4880364 0.84 HDAC4 (0.41) HDAC4ALDH1A1EPHX2OPRM1OPRD1
SCHEMBL7467608 0.82 AKR1C1 (0.59) ALDH1A1KMT2AMEN1OPRM1OPRD1
SCHEMBL521247 0.82 AKR1C1 (0.54) ALDH1A1KMT2AMEN1OPRM1OPRD1
SCHEMBL8587542 0.81 AKR1C1 (0.57) ALDH1A1KMT2AMEN1OPRD1AKR1C1
SCHEMBL4876349 0.79 OPRM1 (0.46) ALDH1A1KMT2AMEN1OPRM1OPRD1
SCHEMBL4877603 0.79 OPRM1 (0.46) ALDH1A1KMT2AMEN1OPRM1OPRD1

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 HDAC4 117/4885ALDH1A1 2899/4885EPHX2 2622/4885

“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.