SCHEMBL4728809

SCHEMBL4728809

CC(C(=O)O)(C1CCCC1)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SSTR4 P31391 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CES2 O00748 2/20 0.32
CES1 P23141 1/20 0.32
CHRM3 P20309 6/20 0.32
RIPK1 Q13546 2/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL29122810 0.97 EPHX1 (0.39) KEAP1NFE2L2EPHX1ALDH1A1TSHR
SCHEMBL14473686 0.97 EPHX1 (0.39) KEAP1NFE2L2EPHX1ALDH1A1TSHR
SCHEMBL8211786 0.89 TSHR (0.40) KEAP1NFE2L2EPHX1ALDH1A1TSHR
SCHEMBL11814849 0.79 KEAP1 (0.41) KEAP1NFE2L2EPHX1ALDH1A1TSHR
SCHEMBL6255794 0.79 KEAP1 (0.41) KEAP1NFE2L2EPHX1ALDH1A1TSHR
SCHEMBL29051500 0.77 EPHX1 (0.38) KEAP1NFE2L2EPHX1ALDH1A1SSTR4
SCHEMBL28730098 0.77 KEAP1 (0.44) KEAP1NFE2L2EPHX1ALDH1A1TSHR
SCHEMBL1733953 0.77 EPHX1 (0.39) KEAP1NFE2L2EPHX1ALDH1A1TSHR
SCHEMBL1876976 0.77 EPHX1 (0.39) KEAP1NFE2L2EPHX1ALDH1A1TSHR
SCHEMBL21269303 0.75 EPHX1 (0.38) KEAP1NFE2L2EPHX1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-6274118-B1 INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE NORDION INTERNATIONAL INC. (CA) 2001-08-14 US disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 WO disclosed
US-3970684-A Polyunsaturated prostaglandin derivatives SYNTEX (U.S.A.) INC. (US) 1976-07-20 US disclosed
US-3931297-A 10-Hydroxy PGC compounds SYNTEX (U.S.A.) INC. (US) 1976-01-06 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-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KEAP1 1032/4885NFE2L2 2926/4885EPHX1 411/4885

“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.