SCHEMBL3853020

SCHEMBL3853020

CCc1cc(C(CC)(CC)c2cc3cc(C(=O)OC)ccc3o2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
TP53 P04637 3/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LCK P06239 1/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3849821 0.90 ESR1 (0.46) ESR1ESR2TP53POLBTHRB
SCHEMBL3851376 0.86 THRB (0.41) TP53POLBTHRBCA1CA2
SCHEMBL3855831 0.82 VDR (0.47) TP53POLBTHRBALDH1A1KDM4E
SCHEMBL3851570 0.78 TP53 (0.46) TP53POLBTHRBCA1CA2
SCHEMBL3850276 0.77 VDR (0.59)
SCHEMBL3857821 0.76 HDAC6 (0.55) HDAC6
SCHEMBL981580 0.74 TP53 (0.52) TP53POLBTHRBCA1CA2
SCHEMBL3851230 0.74 VDR (0.45)
SCHEMBL8230251 0.74 CA1 (0.67) TP53POLBCA1CA2CA12
SCHEMBL3852242 0.74 VDR (0.38) TP53POLBTHRBHDAC6

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-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1687289-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051938-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 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-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 ESR1 174/4885ESR2 148/4885TP53 2858/4885

“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.