SCHEMBL4878231

SCHEMBL4878231

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.46
KMT2A Q03164 2/20 0.46
KCNA3 P22001 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SIGMAR1 Q99720 2/20 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
AKR1C1 Q04828 1/20 0.42
ADAM17 P78536 1/20 0.42
KDM1A O60341 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
SCHEMBL1465003 0.90 KMT2A (0.50) HCAR2KMT2AMEN1ALDH1A1OPRM1
SCHEMBL11865726 0.87 PDE4A (0.55) HCAR2KMT2AKCNA3MEN1ALDH1A1
SCHEMBL4876849 0.87 ADAM17 (0.50) HCAR2KMT2AKCNA3MEN1ALDH1A1
SCHEMBL521247 0.87 AKR1C1 (0.54) HCAR2KMT2AMEN1ALDH1A1OPRM1
SCHEMBL7467608 0.87 AKR1C1 (0.59) KMT2AMEN1ALDH1A1OPRM1OPRD1
SCHEMBL8587542 0.85 AKR1C1 (0.57) KMT2AMEN1ALDH1A1OPRD1AKR1C1
SCHEMBL1626965 0.83 ICMT (0.48) HCAR2KMT2AMEN1ALDH1A1OPRM1
SCHEMBL21874215 0.83 KDM1A (0.49) HCAR2KMT2AMEN1ALDH1A1OPRM1
SCHEMBL11096445 0.82 KMT2A (0.57) KMT2AKCNA3MEN1ALDH1A1OPRM1
SCHEMBL4880472 0.81 STS (0.42) HCAR2KCNA3ALDH1A1SIGMAR1ADAM17

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 9 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
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US 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 HCAR2 343/4885KMT2A 1132/4885KCNA3 1959/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 HCAR2 68/4885KMT2A 1301/4885KCNA3 951/4885

“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.