SCHEMBL3617799

SCHEMBL3617799

CCOC(=O)COc1cc2c(cc1C)OC1(CC(C)(C)c3cc(O)c(C)cc3O1)CC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 7/20 0.43
HPGD P15428 6/20 0.43
HSD17B10 Q99714 5/20 0.43
TSHR P16473 2/20 0.43
ESR1 P03372 2/20 0.43
GAA P10253 5/20 0.39
CASP1 P29466 3/20 0.39
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F9 P00740 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL11537355 0.94 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL14037706 0.91 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL14038318 0.88 PTGDR2 (0.37) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3618903 0.88 PTGDR2 (0.37) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3659340 0.87 KMT2A (0.36) TSHRGAAKMT2AGLASMN1; SMN2
SCHEMBL3650395 0.82 PTGDR2 (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3621912 0.81 FBP1 (0.37) TSHR
SCHEMBL5053933 0.81 FBP1 (0.37) TSHR
SCHEMBL5053912 0.81 FBP1 (0.37) TSHR
SCHEMBL3624354 0.81 FTO (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155178-A1 SPIRO COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS Salutria Pharmaceuticals, LLC (US) 2010-02-24 EP disclosed
WO-2008140781-A1 SPIRO COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS ATHEROGENICS, INC. (US) 2008-11-20 WO disclosed
US-20080280974-A1 Spiro compounds for treatment of inflammatory disorders CRABTREE ACQUISITION CO, LLC 2008-11-13 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-20080280974-A1 Spiro compounds for treatment of inflammatory disorders NR3C2, PTGER2, PTGER1 ALDH1A1 291/4885KDM4E 4204/4885HPGD 134/4885

“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.