SCHEMBL16747415

SCHEMBL16747415

C#Cc1cccc(CCCCCC(C)(C)O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.43
VDR P11473 6/20 0.40
CYP24A1 Q07973 1/20 0.40
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
PTPN1 P18031 1/20 0.36
FFAR1 O14842 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL16747538 0.98 HMGCR (0.44) HMGCRVDRCYP24A1LPLLIPG
SCHEMBL2108199 0.85 HMGCR (0.35) HMGCRVDRCYP24A1
SCHEMBL31529676 0.78 LPL (0.51) LPLLIPGPPARGPPARA
SCHEMBL2108198 0.78 FFAR1 (0.39) HMGCRVDRCYP24A1FFAR1
SCHEMBL16747397 0.78 PPARG (0.34) LPLLIPGPPARGPPARA
SCHEMBL16747506 0.76 PPARG (0.33) LPLLIPGPPARGPPARA
SCHEMBL236362 0.76 CYP4F2 (0.43) LPLLIPGPTPN1FFAR1CA12
SCHEMBL6155393 0.75 PTGS2 (0.49) HMGCRVDRCYP24A1
SCHEMBL4557607 0.73 L3MBTL1 (0.48)
SCHEMBL15782885 0.71 TAAR1 (0.52) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072873-B1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIV SANTIAGO COMPOSTELA (ES) 2019-02-20 EP disclosed
US-9663429-B2 Vitamin D analogues of pharmaceutical interest UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2017-05-30 US disclosed
US-9663429-B2 Vitamin D analogues of pharmaceutical interest UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2017-05-30 US disclosed
US-20160297731-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2016-10-13 US disclosed
US-20160297731-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2016-10-13 US disclosed
EP-3072873-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST Universidade De Santiago De Compostela (ES) 2016-09-28 EP disclosed
WO-2015075291-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2015-05-28 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-20160297731-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST CYP24A1, VDR, CYP2R1 HMGCR 113/4885VDR 2/4885CYP24A1 1/4885

“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.