SCHEMBL4880013

SCHEMBL4880013

COc1cccc(C2(C(=O)O)CCC(c3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HTR2C P28335 2/20 0.45
▸ APP P05067 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ OPRD1 P41143 4/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ MAPT P10636 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
SCHEMBL4868377 0.90 ADAM17 (0.48) ALDH1A1KDM4ELMNATSHRGRIN2B
SCHEMBL1465003 0.85 KMT2A (0.50) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL4876677 0.85 HDAC4 (0.47) ALDH1A1GRIN2BMEN1KMT2AAPP
SCHEMBL4877607 0.84 SIGMAR1 (0.42) ALDH1A1KDM4ELMNATSHRGRIN2B
SCHEMBL4877598 0.84 OPRD1 (0.41) ALDH1A1KDM4ELMNATSHRGRIN2B
SCHEMBL521247 0.82 AKR1C1 (0.54) ALDH1A1TSHRMEN1KMT2AOPRD1
SCHEMBL7467608 0.82 AKR1C1 (0.59) ALDH1A1TSHRMEN1KMT2AOPRD1
SCHEMBL8587542 0.81 AKR1C1 (0.57) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL4876357 0.79 OPRM1 (0.46) ALDH1A1GRIN2BMEN1KMT2AOPRD1
SCHEMBL4877603 0.79 OPRM1 (0.46) ALDH1A1GRIN2BMEN1KMT2AOPRD1

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 ALDH1A1 2899/4885KDM4E 768/4885LMNA 3670/4885

“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.

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