SCHEMBL782624

SCHEMBL782624

Cc1cc(C)c(C2=C(O)C3(CCN(OCc4ccccc4)CC3)OC2=O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 1/20 0.33
CTSF Q9UBX1 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KCNA5 P22460 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD4 P21917 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
GRM5 P41594 1/20 0.31
EDNRA P25101 1/20 0.31
FKBP1A P62942 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
SCHEMBL782464 0.86 TSHR (0.32) MEN1KMT2ATSHR
SCHEMBL782609 0.84 SIGMAR1 (0.35) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL13167970 0.83 OPRM1 (0.42) SIGMAR1CTSVCTSLCTSBCTSS
SCHEMBL27377488 0.83 OPRM1 (0.42) SIGMAR1CTSVCTSLCTSBCTSS
SCHEMBL782597 0.83 POLB (0.31) TSHR
SCHEMBL769216 0.82 TSHR (0.34) LMNATSHR
SCHEMBL782629 0.82 TSHR (0.32) TSHR
SCHEMBL782350 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL13052289 0.78 MEN1 (0.30) MEN1KMT2A
SCHEMBL782613 0.77 TSHR (0.31) TSHR

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-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

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 SIGMAR1 371/4885ALDH1A1 23/4885CTSV 3228/4885

“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.