SCHEMBL9979491

SCHEMBL9979491

C=C1C(=O)CC2CC3OC3(C)CCC3OC3(C)C[C@H](OC(C)=O)C1C2(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
PTGS2 P35354 1/20 0.32
KDR P35968 1/20 0.31
HSD11B1 P28845 4/20 0.31
CYP3A4 P08684 1/20 0.31
HSD11B2 P80365 1/20 0.31
FTH1 P02794 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL29409470 1.00 FNTA (0.33) FNTAFNTBPGGT1BPTGS2KDR
SCHEMBL13216859 0.90 FNTA (0.32) FNTAFNTBPGGT1BPTGS2
SCHEMBL14486589 0.82 CYP3A4 (0.35) CYP3A4FTH1CYP2C9CYP2C19
SCHEMBL9979496 0.78 HSD11B1 (0.33) HSD11B1CYP3A4HSD11B2
SCHEMBL9979494 0.78 HSD11B1 (0.35) KDRHSD11B1CYP3A4HSD11B2
SCHEMBL9979495 0.75 CYP3A4 (0.36) CYP3A4FTH1CYP2C9CYP2C19
SCHEMBL31424073 0.69 FNTA (0.58) FNTAFNTBPGGT1BPTGS2CYP3A4
SCHEMBL31424068 0.69 FNTA (0.58) FNTAFNTBPGGT1BPTGS2CYP3A4
SCHEMBL16943993 0.64 ALDH1A1 (0.39) CYP3A4CYP2C9CYP2C19
SCHEMBL13355527 0.63 CYP3A4 (0.39) CYP3A4FTH1CYP2C9CYP2C19

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-8124654-B2 Derivatives of hypoestoxide and related compounds IMMUNE MODULATION, INC. (US) 2012-02-28 US disclosed
US-20100120853-A1 Derivatives of Hypoestoxide and Related Compounds IMMUNE MODULATION, INC. (US) 2010-05-13 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 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 (3 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-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 FNTA 2727/4885FNTB 1297/4885PGGT1B 2575/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 FNTA 2727/4885FNTB 1297/4885PGGT1B 2575/4885
US-20100120853-A1 Derivatives of Hypoestoxide and Related Compounds CYP8B1, HAAO, CYP27A1 FNTA 84/4885FNTB 210/4885PGGT1B 639/4885

“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.