SCHEMBL5569413

SCHEMBL5569413

Cc1cc(C(C)(C)CCc2ccc(CO)c(CO)c2)ccc1/C=C/C(O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.36
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
GABRA1 P14867 1/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34
KDR P35968 1/20 0.34
GABRB2 P47870 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL5569421 1.00 VDR (0.36) VDRPGRARGABRA1MAOA
SCHEMBL5565556 0.90 VDR (0.36) VDRCNR1CNR2
SCHEMBL5565563 0.90 VDR (0.36) VDRCNR1CNR2
SCHEMBL5566495 0.89 VDR (0.35) VDRPGRARGABRA1MAOA
SCHEMBL5566486 0.89 VDR (0.35) VDRPGRARGABRA1MAOA
SCHEMBL5569423 0.89 VDR (0.39) VDRPGRARGABRA1MAOA
SCHEMBL5569412 0.89 VDR (0.39) VDRPGRARGABRA1MAOA
SCHEMBL5569833 0.86 PGR (0.36) VDRPGRARGABRA1MAOA
SCHEMBL5569826 0.86 PGR (0.36) VDRPGRARGABRA1MAOA
SCHEMBL5569418 0.83 PGR (0.31) PGRARGABRA1MAOASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US claimed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 US claimed
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US disclosed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 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-20050182144-A1 Novel vitamin D analogues CYP24A1, CYP2R1, VDR VDR 3/4885PGR 761/4885AR 476/4885

“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.