SCHEMBL6345317

SCHEMBL6345317

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@]1(C)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
SREBF1 P36956 1/20 0.77
VDR P11473 9/20 0.76
NR1I2 O75469 1/20 0.76
ABCB11 O95342 1/20 0.76
GC P02774 1/20 0.76
PGR P06401 1/20 0.76
ADORA3 P0DMS8 1/20 0.76
RXRA P19793 1/20 0.76
CHRM3 P20309 1/20 0.76
CNR1 P21554 1/20 0.76
SLC6A2 P23975 1/20 0.76
HTR2C P28335 1/20 0.76
MAPK1 P28482 1/20 0.76
AGTR1 P30556 1/20 0.76
SLC6A4 P31645 1/20 0.76
ADRA1A P35348 1/20 0.76
PTGS2 P35354 1/20 0.76
OPRD1 P41143 1/20 0.76

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
SCHEMBL6345146 1.00 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6343719 1.00 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL6352587 1.00 MAPT (0.77) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL10894072 0.94 MAPT (0.78) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL26322319 0.92 MAPT (0.78) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL10751492 0.92 MAPT (0.75) MAPTSMN1; SMN2SREBF1VDRNR1I2
SCHEMBL7058107 0.91 MAPT (0.73) MAPTSMN1; SMN2SREBF1VDRNR1I2
Calcifediol Anhydrous SCHEMBL24571935 0.87 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRNR1I2
Calcifediol Anhydrous SCHEMBL9933434 0.87 MAPT (1.00) MAPTSMN1; SMN2SREBF1VDRNR1I2
Calcifediol Anhydrous SCHEMBL3296 0.87 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119240-A1 1-methyl-20-epi-vitamin d derivative CHUGAI SEIYAKU KAABUSHIKI KAISHA (JP) 2005-06-02 US disclosed
EP-1310484-A1 1-METHYL-20-EPIVITAMIN D DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-14 EP 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-20050119240-A1 1-methyl-20-epi-vitamin d derivative CYP24A1, VDR, CYP2R1 MAPT 4728/4885SMN1; SMN2 4597/4885SREBF1 101/4885

“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.