SCHEMBL26322319

SCHEMBL26322319

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)CC(O)CC1(C)C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
SREBF1 P36956 1/20 0.78
VDR P11473 9/20 0.77
NR1I2 O75469 1/20 0.77
ABCB11 O95342 1/20 0.77
GC P02774 1/20 0.77
PGR P06401 1/20 0.77
ADORA3 P0DMS8 1/20 0.77
RXRA P19793 1/20 0.77
CHRM3 P20309 1/20 0.77
CNR1 P21554 1/20 0.77
SLC6A2 P23975 1/20 0.77
HTR2C P28335 1/20 0.77
MAPK1 P28482 1/20 0.77
AGTR1 P30556 1/20 0.77
SLC6A4 P31645 1/20 0.77
ADRA1A P35348 1/20 0.77
PTGS2 P35354 1/20 0.77
OPRD1 P41143 1/20 0.77

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
SCHEMBL10894072 0.93 MAPT (0.78) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6345317 0.92 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6352587 0.92 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6345146 0.92 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6343719 0.92 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL10751492 0.91 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL15633688 0.90 VDR (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL7058107 0.90 MAPT (0.73) MAPTSMN1; SMN2SREBF1VDRNR1I2
Calcifediol Anhydrous SCHEMBL24102681 0.88 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRNR1I2
Calcifediol Anhydrous SCHEMBL5614025 0.88 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF UNIV KYOTO (JP) 2023-09-07 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 (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-20230278955-A1 VITAMIN D3 DERIVATIVES AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 MAPT 4051/4885SMN1; SMN2 4583/4885SREBF1 434/4885

“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.