SCHEMBL5956528

SCHEMBL5956528

COC(=O)c1ccc2c(c1C)SCCC2O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
HTR5A P47898 1/20 0.34
MYC P01106 1/20 0.34
PDK2 Q15119 2/20 0.34
PDK4 Q16654 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL5956888 1.00 PTGER4 (0.40) PTGER4MEN1KMT2AALDH1A1KDM4E
SCHEMBL30574254 0.86 PTGER4 (0.39) PTGER4MEN1KMT2AALDH1A1KDM4E
SCHEMBL7993980 0.86 PTGER4 (0.39) PTGER4MEN1KMT2AALDH1A1KDM4E
SCHEMBL5956737 0.85 PTGER4 (0.42) PTGER4MEN1KMT2AALDH1A1KDM4E
SCHEMBL5956884 0.85 PTGER4 (0.42) PTGER4MEN1KMT2AALDH1A1KDM4E
SCHEMBL7323896 0.84 DRD2 (0.43) MEN1KMT2AALDH1A1KDM4EDRD2
SCHEMBL27504228 0.84 TSHR (0.33) PTGER4MEN1KMT2AALDH1A1KDM4E
SCHEMBL7994474 0.81 PTGER4 (0.39) PTGER4MEN1KMT2AALDH1A1KDM4E
SCHEMBL7809913 0.78 KDM4E (0.33) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL5956763 0.77 MEN1 (0.40) PTGER4MEN1KMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730049-A1 COSMETIC PORTION Henkel Kommanditgesellschaft auf Aktien (DE) 2006-12-13 EP disclosed
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
WO-2005085089-A1 COSMETIC PORTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-09-15 WO disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP disclosed
US-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6054414-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 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 (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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 PTGER4 2079/4885MEN1 2543/4885KMT2A 1253/4885

“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.