SCHEMBL3855827

SCHEMBL3855827

CCc1cc(C(C)CCCc2cc3cc(C(=O)OC)ccc3o2)ccc1OCC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SRD5A2 P31213 1/20 0.33
VDR P11473 3/20 0.33
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AR P10275 3/20 0.31
HSP90AA1 P07900 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3855863 0.92 SRD5A2 (0.39) TP53ALDH1A1KDM4EHDAC6SRD5A2
SCHEMBL3850271 0.91 VDR (0.39) TP53POLBTHRBMAPK1SMN1; SMN2
SCHEMBL3851229 0.90 TP53 (0.35) TP53POLBTHRBMAPK1SMN1; SMN2
SCHEMBL5971306 0.88 MAPK1 (0.35) TP53POLBTHRBMAPK1SMN1; SMN2
SCHEMBL3859965 0.82 VDR (0.40) TP53VDRAR
SCHEMBL3851369 0.82 TBXAS1 (0.34) TP53SMN1; SMN2ALDH1A1KDM4EHDAC6
SCHEMBL3855825 0.81 MAPK1 (0.36) TP53POLBTHRBMAPK1SMN1; SMN2
SCHEMBL5970911 0.80 SMN1; SMN2 (0.34) TP53POLBTHRBMAPK1SMN1; SMN2
SCHEMBL5971590 0.79 VDR (0.41) TP53POLBTHRBMAPK1SMN1; SMN2
SCHEMBL5971554 0.79 SRD5A2 (0.36) ALDH1A1KDM4EHDAC6SRD5A2VDR

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-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

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 TP53 2858/4885POLB 4532/4885THRB 648/4885

“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.