SCHEMBL3895451

SCHEMBL3895451

C[C@H](CCCCO)CCCC(C)(C)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.35
PTPN1 P18031 2/20 0.33
PTPN2 P17706 1/20 0.32
CDC25B P30305 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7705960 1.00 MEN1 (0.41) MEN1KMT2AALOX15CYP3A4ALDH1A1
SCHEMBL362466 0.88 ALOX15 (0.42) MEN1KMT2AALOX15CYP3A4ALDH1A1
SCHEMBL16357610 0.88 ALDH1A1 (0.50) MEN1KMT2AALOX15CYP3A4ALDH1A1
SCHEMBL18954258 0.87 ALOX15 (0.34) MEN1KMT2AALOX15CYP3A4ALDH1A1
SCHEMBL3870295 0.83 LMNA (0.53) MEN1KMT2AALOX15CYP3A4ALDH1A1
SCHEMBL156683 0.83
SCHEMBL11651471 0.82 TSHR (0.42) MEN1KMT2AALOX15CYP3A4ALDH1A1
SCHEMBL3897447 0.81 TSHR (0.46) MEN1KMT2AALOX15CYP3A4ALDH1A1
SCHEMBL13839555 0.81 TSHR (0.46) MEN1KMT2AALOX15CYP3A4ALDH1A1
SCHEMBL29011335 0.80 TSHR (0.41) MEN1KMT2AALOX15CYP3A4ALDH1A1

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 15 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
EP-0983221-B1 CYCLOHEXANEDIOL DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-04-03 EP disclosed
EP-0983221-A1 CYCLOHEXANEDIOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-03-08 EP disclosed
US-5969190-A TREATING HYPERPROLIFERATIVE SKIN DISEASES HOFFMANN-LA ROCHE INC. (US) 1999-10-19 US disclosed
WO-1998052894-A1 CYCLOHEXANEDIOL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1998-11-26 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 MEN1 279/4885KMT2A 4855/4885ALOX15 230/4885

“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.