SCHEMBL531268

SCHEMBL531268

C=C1C(=O)OC2C3=C(C)CCCC3(C)CCC12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.41
▸ NLRP3 Q96P20 3/20 0.41
▸ CYP3A4 P08684 5/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 4/20 0.39
▸ TP53 P04637 4/20 0.39
▸ CYP19A1 P11511 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ STAT6 P42226 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 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
SCHEMBL28250594 1.00 PKM (0.41) PKMNLRP3CYP3A4CYP2D6CYP2C9
SCHEMBL14987851 1.00 PKM (0.41) PKMNLRP3CYP3A4CYP2D6CYP2C9
SCHEMBL14987814 1.00 PKM (0.41) PKMNLRP3CYP3A4CYP2D6CYP2C9
SCHEMBL13940824 0.85 PKM (0.31) PKMNLRP3CYP3A4LMNATP53
SCHEMBL530805 0.75 NLRP3 (0.36) PKMNLRP3CYP3A4CYP2D6CYP2C9
SCHEMBL4022686 0.73 GAA (0.32) TSHR
Alloalantolactone SCHEMBL30105635 0.73 NLRP3 (0.50) PKMNLRP3CYP3A4CYP2D6CYP2C9
Alloalantolactone SCHEMBL29934802 0.73 NLRP3 (0.50) PKMNLRP3CYP3A4CYP2D6CYP2C9
SCHEMBL529984 0.72 CYP3A4 (0.52) CYP3A4TDP1CYP19A1ALDH1A1CYP1A2
SCHEMBL14973480 0.72 CYP3A4 (0.52) CYP3A4TDP1CYP19A1ALDH1A1CYP1A2

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-20130136809-A1 7-HYRDROXYFRULLANOLIDE ITS ANALOGS FOR PREVENTION CONTROL AND TREATMENT OF METABOLIC DISORDERS LAILA NUTRACEUTICALS (IN) 2013-05-30 — — US disclosed
US-20130136809-A1 7-HYRDROXYFRULLANOLIDE ITS ANALOGS FOR PREVENTION CONTROL AND TREATMENT OF METABOLIC DISORDERS LAILA NUTRACEUTICALS (IN) 2013-05-30 — — US disclosed
WO-2012014216-A1 7-HYDROXYFRULLANOLIDE AND ITS ANALOGS FOR PREVENTION, CONTROL AND TREATMENT OF METABOLIC DISORDERS LAILA NUTRACEUTICALS (IN) 2012-02-02 — — WO disclosed
WO-2009016565-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-05 — — 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-20130136809-A1 7-HYRDROXYFRULLANOLIDE ITS ANALOGS FOR PREVENTION CONTROL AND TREATMENT OF METABOLIC DISORDERS GPR119, NPY2R, NPY5R PKM 3077/4885NLRP3 1438/4885CYP3A4 877/4885

“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.

Send feedback