SCHEMBL3056435

SCHEMBL3056435

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3\CC(O)C[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 12/20 1.00
MAPT P10636 2/20 0.74
NR1I2 O75469 1/20 0.74
ABCB11 O95342 1/20 0.74
GC P02774 1/20 0.74
PGR P06401 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
RXRA P19793 1/20 0.74
CHRM3 P20309 1/20 0.74
CNR1 P21554 1/20 0.74
SLC6A2 P23975 1/20 0.74
HTR2C P28335 1/20 0.74
MAPK1 P28482 1/20 0.74
AGTR1 P30556 1/20 0.74
SLC6A4 P31645 1/20 0.74
ADRA1A P35348 1/20 0.74
PTGS2 P35354 1/20 0.74
OPRD1 P41143 1/20 0.74
OPRK1 P41145 1/20 0.74
SLC6A3 Q01959 1/20 0.74

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
SCHEMBL19988205 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL12047912 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL13996344 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL14489107 1.00 VDR (1.00) VDRMAPTNR1I2ABCB11GC
SCHEMBL26322255 0.94 VDR (0.88) VDRMAPTNR1I2ABCB11GC
SCHEMBL26322289 0.94 VDR (0.88) VDRMAPTNR1I2ABCB11GC
SCHEMBL13392172 0.91 VDR (0.84) VDRMAPTNR1I2ABCB11GC
SCHEMBL3177008 0.91 VDR (0.84) VDRMAPTNR1I2ABCB11GC
SCHEMBL13392705 0.91 VDR (0.84) VDRMAPTNR1I2ABCB11GC
SCHEMBL14107778 0.90 VDR (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222307-A1 VITAMIN D AND VITAMIN D ANALOGS OR DERIVATIVES AS NEW ANTI-HYPERTENSIVE AGENTS THE UNIVERSITY OF CHICAGO (US) 2010-09-02 US disclosed
US-20050113348-A1 Vitamin D and vitamin D analogs or derivatives as new anti-hypertensive agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-05-26 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-20100222307-A1 VITAMIN D AND VITAMIN D ANALOGS OR DERIVATIVES AS NEW ANTI-HYPERTENSIVE AGENTS VDR, GC, CYP24A1 VDR 1/4885MAPT 3542/4885NR1I2 30/4885
US-20050113348-A1 Vitamin D and vitamin D analogs or derivatives as new anti-hypertensive agents VDR, GC, CYP24A1 VDR 1/4885MAPT 3542/4885NR1I2 30/4885

“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.