SCHEMBL782356

SCHEMBL782356

COc1ccc(C)cc1C1=C(O)C2(CCN(OC)CC2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
EDNRA P25101 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
AVPR1A P37288 4/20 0.35
SSTR5 P35346 1/20 0.34
NPY5R Q15761 2/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL768905 0.89 POLB (0.39) MAPTPOLBKMT2AAVPR1ANPY5R
SCHEMBL782228 0.86 POLB (0.36) MAPTPOLBLMNAAVPR1ANPY5R
SCHEMBL782243 0.86 NPY5R (0.42) KMT2ATSHRAVPR1ASSTR5NPY5R
SCHEMBL782272 0.86 AVPR1A (0.34) MAPTPOLBKMT2AAVPR1ASSTR5
SCHEMBL782385 0.84 THRB (0.37) MAPTPOLBKMT2ALMNAMAPK1
SCHEMBL782405 0.82 KMT2A (0.36) MAPTPOLBTP53GAAKMT2A
SCHEMBL782249 0.82 CYP19A1 (0.45) MAPTTP53KMT2AEDNRALMNA
SCHEMBL782610 0.81 EDNRA (0.39) POLBTP53GAAKMT2AEDNRA
SCHEMBL769642 0.80 AVPR1A (0.32) LMNAAVPR1ANPY5R
SCHEMBL782482 0.80 MAPT (0.33) MAPTPOLBTP53LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
US-8574607-B2 Spiroheterocyclic thiofuran dione derivatives SYNGENTA CROP PROTECTION, INC. (US) 2013-11-05 US disclosed
WO-2012069008-A1 3-SUBSTITUTED SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
US-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-22 US disclosed
WO-2010135914-A1 NEW SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 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-20120071319-A1 SPIROHETEROCYCLIC FURAN AND THIOFURAN DIONE DERIVATIVES DDT, DHFR, CYP1A1 MAPT 4543/4885POLB 4426/4885TP53 2386/4885

“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.