SCHEMBL17378377

SCHEMBL17378377

C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@]2(C)CCCC12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
ALOX15 P16050 3/20 0.60
CYP3A4 P08684 3/20 0.60
LMNA P02545 2/20 0.60
HSPD1 P10809 2/20 0.60
PTGS1 P23219 2/20 0.60
HSPE1 P61604 2/20 0.60
ADRA1A P35348 2/20 0.60
AR P10275 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
USP2 O75604 1/20 0.60
ABCB11 O95342 1/20 0.60
ESR1 P03372 1/20 0.60
TST Q16762 1/20 0.60
VDR P11473 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56

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
SCHEMBL23192305 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1896384 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL16473176 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1896385 1.00 ALDH1A1 (0.60) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1892774 0.88 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1892773 0.88 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1898177 0.88 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL8946861 0.82 MEN1 (0.68) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL1894983 0.82 MEN1 (0.68) ALDH1A1ALOX15CYP3A4LMNAHSPD1
SCHEMBL8946866 0.82 MEN1 (0.68) ALDH1A1ALOX15CYP3A4LMNAHSPD1

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
US-20170153254-A1 ASSAYS FOR VITAMIN D EPIMERS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-06-01 US disclosed
US-20170121426-A1 BINDING PARTNERS SPECIFIC FOR VITAMIN D EPIMERS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-05-04 US disclosed
US-20170114012-A1 COMPOSITIONS RELATING TO VITAMIN D SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-04-27 US disclosed
WO-2015200180-A1 COMPOSITIONS RELATING TO VITAMIN D SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2015-12-30 WO disclosed
WO-2015200186-A1 BINDING PARTNERS SPECIFIC FOR VITAMIN D EPIMERS IN VITAMIN D ASSAYS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2015-12-30 WO disclosed
WO-2015200182-A1 BINDING PARTNERS SPECIFIC FOR VITAMIN D EPIMERS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2015-12-30 WO disclosed
WO-2015200178-A1 ASSAYS FOR VITAMIN D EPIMERS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2015-12-30 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 (3 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-20170114012-A1 COMPOSITIONS RELATING TO VITAMIN D VDR, CYP24A1, CYP2R1 ALDH1A1 1241/4885ALOX15 256/4885CYP3A4 1049/4885
US-20170121426-A1 BINDING PARTNERS SPECIFIC FOR VITAMIN D EPIMERS GC, CYP24A1, VDR ALDH1A1 3253/4885ALOX15 1536/4885CYP3A4 900/4885
US-20170153254-A1 ASSAYS FOR VITAMIN D EPIMERS CYP24A1, VDR, GC ALDH1A1 2308/4885ALOX15 1125/4885CYP3A4 158/4885

“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.