SCHEMBL3890464

SCHEMBL3890464

CC(C)=CCC[C@H](C)COCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 4/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL5030027 1.00 ATM (0.41) ATMTDP1L3MBTL1ALOX15ALDH1A1
SCHEMBL7930882 0.83 ALOX15 (0.49) ATMTDP1L3MBTL1ALOX15ALDH1A1
SCHEMBL11446111 0.83 CA1 (0.44) ATMTDP1L3MBTL1CA1CA2
SCHEMBL11445079 0.82 ATM (0.43) ATMTDP1L3MBTL1ALOX15ALDH1A1
SCHEMBL13839552 0.77 TSHR (0.47) ALDH1A1CA1CA2CA7CA9
SCHEMBL3883464 0.77 TSHR (0.47) ALDH1A1CA1CA2CA7CA9
SCHEMBL27694653 0.76 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL14606537 0.76 TRPA1 (0.39) CA1CA2CA7CA9TSHR
SCHEMBL3441033 0.75 CA1 (0.40) CA1CA2CA7CA9TSHR
SCHEMBL3441037 0.75 CA1 (0.40) CA1CA2CA7CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931324-B1 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RES FOUND (US) 2015-01-28 EP disclosed
EP-1931324-B1 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RES FOUND (US) 2015-01-28 EP disclosed
US-7534777-B2 Des-C,D analogs of 1α,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-19 US disclosed
US-7534777-B2 Des-C,D analogs of 1α,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-19 US disclosed
US-7534777-B2 Des-C,D analogs of 1α,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-19 US disclosed
EP-1931324-A2 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-06-18 EP disclosed
US-20070112077-A1 Des-C,D analogs of 1alpha,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-05-17 US disclosed
US-20070112077-A1 Des-C,D analogs of 1alpha,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-05-17 US disclosed
US-20070112077-A1 Des-C,D analogs of 1alpha,25-dihydroxy-19-norvitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-05-17 US disclosed
WO-2007028000-A2 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-03-08 WO disclosed
WO-2007028000-A2 DES-C,D ANALOGS OF 1ALPHA,25-DIHYDROXY-19-NORVITAMIN D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-03-08 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-20070112077-A1 Des-C,D analogs of 1alpha,25-dihydroxy-19-norvitamin D3 CYP24A1, VDR, CYP2R1 ATM 4725/4885TDP1 3849/4885L3MBTL1 2416/4885

“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.