SCHEMBL782254

SCHEMBL782254

CON1CCC2(CC1)OC(=O)C(c1cccc(C)c1C)=C2O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.35
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CTSC P53634 2/20 0.34
CTSF Q9UBX1 2/20 0.34
CTSH P09668 1/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 2/20 0.31
THRB P10828 1/20 0.31
AVPR1A P37288 2/20 0.31
HTR2C P28335 1/20 0.31
TP53 P04637 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
SCHEMBL782614 0.86 AVPR1A (0.36) NPY5RCTSVCTSLCTSBCTSS
SCHEMBL769642 0.83 AVPR1A (0.32) NPY5RLMNATHRBAVPR1A
SCHEMBL768905 0.82 POLB (0.39) NPY5RMAPTAVPR1A
SCHEMBL782228 0.82 POLB (0.36) NPY5RMAPTLMNATHRBAVPR1A
SCHEMBL782383 0.82 NPY5R (0.38) NPY5RMAPTCYP1A2NPSR1AVPR1A
SCHEMBL782243 0.82 NPY5R (0.42) NPY5RCYP3A4CYP2C19AVPR1AHRH3
SCHEMBL782235 0.82 NPY5R (0.38) NPY5RCYP1A2AVPR1A
SCHEMBL782388 0.81 AVPR1A (0.34) NPY5RMAPTLMNATHRBAVPR1A
SCHEMBL782490 0.81 AVPR1A (0.35) NPY5RMAPTLMNATHRBAVPR1A
SCHEMBL782250 0.81 SSTR5 (0.34) NPY5RLMNAHRH3

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 5 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

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 NPY5R 2496/4885CTSV 3228/4885CTSL 4025/4885

“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.