SCHEMBL5565164

SCHEMBL5565164

Cc1cc(C(C)(C)CCc2ccc(CO)c(CO)c2)ccc1OCC(O)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 13/20 0.55
AR P10275 9/20 0.52
HDAC3 O15379 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC1 Q13547 1/20 0.45

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
SCHEMBL5568943 0.90 VDR (0.43) VDRARHDAC3HDAC6
SCHEMBL5564850 0.89 VDR (0.45) VDRARHDAC3HDAC6HDAC1
SCHEMBL5569440 0.89 VDR (0.57) VDRARHDAC3HDAC6HDAC1
SCHEMBL5565459 0.86 VDR (0.53) VDRARHDAC3HDAC6
SCHEMBL5568526 0.82 VDR (0.39) VDRARHDAC3HDAC6
SCHEMBL5565327 0.81 VDR (0.38) VDRARHDAC3HDAC6HDAC1
SCHEMBL5569585 0.80 VDR (0.38) VDRARHDAC3HDAC6
SCHEMBL5569105 0.79 VDR (0.46) VDRARHDAC3HDAC6HDAC1
SCHEMBL5568274 0.79 VDR (0.44) VDRARHDAC3HDAC6HDAC1
SCHEMBL5569657 0.78 VDR (0.36) VDR

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 8 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
EP-1537065-A1 ANALOGUES OF VITAMIN D Galderma Research & Development, S.N.C. (FR) 2005-06-08 EP claimed
WO-2004020379-A1 ANALOGUES OF VITAMIN D GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2004-03-11 WO claimed
US-7312249-B2 Vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-12-25 US disclosed
EP-1575919-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST Bayer HealthCare AG (DE) 2005-09-21 EP disclosed
US-20050182144-A1 Novel vitamin D analogues GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-18 US disclosed
WO-2004043926-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST BAYER HEALTHCARE AG (DE) 2004-05-27 WO 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 3/4885AR 476/4885HDAC3 2976/4885

“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.