SCHEMBL9009945

SCHEMBL9009945

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=CCCO)[C@H](O)C3)CCC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 14/20 1.00
MAPT P10636 2/20 0.63
NR1I2 O75469 1/20 0.63
ABCB11 O95342 1/20 0.63
GC P02774 1/20 0.63
PGR P06401 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
RXRA P19793 1/20 0.63
CHRM3 P20309 1/20 0.63
CNR1 P21554 1/20 0.63
SLC6A2 P23975 1/20 0.63
HTR2C P28335 1/20 0.63
MAPK1 P28482 1/20 0.63
AGTR1 P30556 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1A P35348 1/20 0.63
PTGS2 P35354 1/20 0.63
OPRD1 P41143 1/20 0.63
OPRK1 P41145 1/20 0.63
SLC6A3 Q01959 1/20 0.63

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
SCHEMBL9009943 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL5983246 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL5982347 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL5983382 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL9010871 0.94 VDR (0.89) VDR
SCHEMBL9010877 0.94 VDR (0.89) VDR
SCHEMBL14107800 0.93 VDR (0.87) VDRMAPTNR1I2ABCB11GC
SCHEMBL13993776 0.90 VDR (0.82) VDRMAPTNR1I2ABCB11GC
SCHEMBL13993784 0.90 VDR (0.82) VDRMAPTNR1I2ABCB11GC
SCHEMBL13993789 0.90 VDR (0.82) VDRMAPTNR1I2ABCB11GC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 US disclosed
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 US disclosed
US-7745404-B2 Use of calcitonin and calcitonin-like peptides to treat and prevent multiple sclerosis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-29 US disclosed
US-7745404-B2 Use of calcitonin and calcitonin-like peptides to treat and prevent multiple sclerosis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-29 US disclosed
US-7566696-B2 Use of calcitonin and calcitonin-like peptides to treat and prevent multiple sclerosis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-07-28 US disclosed
US-7566696-B2 Use of calcitonin and calcitonin-like peptides to treat and prevent multiple sclerosis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-07-28 US disclosed
US-20080146491-A1 USE OF CALCITONIN AND CALCITONIN-LIKE PEPTIDES TO TREAT AND PREVENT MULTIPLE SCLEROSIS DELUCA HECTOR F 2008-06-19 US disclosed
US-20080146491-A1 USE OF CALCITONIN AND CALCITONIN-LIKE PEPTIDES TO TREAT AND PREVENT MULTIPLE SCLEROSIS DELUCA HECTOR F 2008-06-19 US disclosed
US-20070105774-A1 Administering an appropriate dosage schedule of a bone calcium resorption inhibitor like alendronate and a toxic dose of a vitamin D compounds like 1, alpha 25-dihydroxyvitamin D3 without developing hypercalcemia WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-05-10 US disclosed
US-20070105774-A1 Administering an appropriate dosage schedule of a bone calcium resorption inhibitor like alendronate and a toxic dose of a vitamin D compounds like 1, alpha 25-dihydroxyvitamin D3 without developing hypercalcemia WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-05-10 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 (2 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-20070105774-A1 Administering an appropriate dosage schedule of a bone calcium resorption inhibitor like alendronate and a toxic dose of a vitamin D compounds like 1, alpha 25-dihydroxyvitamin D3 without developing hypercalcemia CALCA, CALCRL, CYP24A1 VDR 7/4885MAPT 2335/4885NR1I2 3136/4885
US-20080146491-A1 USE OF CALCITONIN AND CALCITONIN-LIKE PEPTIDES TO TREAT AND PREVENT MULTIPLE SCLEROSIS CALCA, CALCB, CALCRL VDR 5/4885MAPT 2497/4885NR1I2 3891/4885

“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.