SCHEMBL430158

SCHEMBL430158

Cc1cc(C)c(C2=C(O)[C@H]3[C@@H](C2=O)[C@@H]2CC[C@H]3C2=O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL431349 1.00 HTR2A (0.32) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL432695 0.87 LMNA (0.34) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL471009 0.87 LMNA (0.34) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL431294 0.86 HTR2A (0.32) HTR2AHTR2CHTR2B
SCHEMBL431112 0.83
SCHEMBL432771 0.82 MEN1 (0.32)
SCHEMBL431100 0.81 MEN1 (0.36) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL432186 0.79 SMN1; SMN2 (0.43) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL432762 0.79 L3MBTL1 (0.34) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL10257452 0.78 L3MBTL1 (0.35) KDM4ELMNA

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
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 HTR2A 1320/4885HTR2C 565/4885HTR2B 989/4885

“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.