SCHEMBL4095576

SCHEMBL4095576

CCc1cc(Oc2ccc(C(=O)CCC(=O)OC(C)(C)C)cc2)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.45
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MMP1 P03956 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4090943 0.84 HSD17B10 (0.53) CTNNB1WNT3APOLBMAPTPDE4B
SCHEMBL13304061 0.79 MMP1 (0.58) POLBMAPTPDE4BHSD17B10NPC1
SCHEMBL4091829 0.77 MAPT (0.58) POLBMAPTHSD17B10HTTALDH1A1
SCHEMBL9661249 0.75 STING1 (0.47) STING1CTNNB1WNT3AMTNR1AMTNR1B
SCHEMBL13448038 0.71 KMT2A (0.58) STING1CTNNB1WNT3APOLBMAPT
SCHEMBL14264240 0.70 HSD17B10 (0.50) MTNR1AMTNR1BHSD17B10ALDH1A1
SCHEMBL4272863 0.70 ALDH1A1 (0.57) CTNNB1WNT3APDE4BHSD17B10HTT
SCHEMBL18755183 0.70 PDE4D (0.54) CTNNB1WNT3AMAPTPDE4APDE4B
SCHEMBL4096578 0.70 LMNA (0.59) CTNNB1POLBMAPTNPC1LMNA
SCHEMBL2516124 0.69 NR4A2 (0.55) STING1CTNNB1WNT3APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 STING1 4718/4885CTNNB1 1039/4885WNT3A 2775/4885

“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.