SCHEMBL782482

SCHEMBL782482

COc1cc(C)cc(C)c1C1=C(O)C2(CCN(OC)CC2)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
TP53 P04637 1/20 0.33
RECQL P46063 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 2/20 0.31
CRHR1 P34998 4/20 0.31
KDM4E B2RXH2 1/20 0.31
PABPC1 P11940 1/20 0.31
EIF4H Q15056 1/20 0.31
SSTR5 P35346 1/20 0.31
LMNA P02545 2/20 0.30
AVPR1A P37288 2/20 0.30
THRB P10828 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
SCHEMBL769216 0.92 TSHR (0.34) MAPTPOLBTSHRKDM4ELMNA
SCHEMBL782489 0.89 MAPT (0.32) MAPTPOLBTP53RECQLALDH1A1
SCHEMBL9290064 0.87 TSHR (0.31) TSHRTHRB
SCHEMBL782420 0.87 TSHR (0.31) MAPTTSHR
SCHEMBL782372 0.87 POLB (0.31) POLBTSHR
SCHEMBL782613 0.86 TSHR (0.31) TSHR
SCHEMBL782611 0.85 TSHR (0.30) TSHR
SCHEMBL11989367 0.84 MAPT (0.35) MAPTPOLBRECQLALDH1A1TSHR
SCHEMBL782406 0.84
SCHEMBL782472 0.84 LMNA (0.32) MAPTRECQLALDH1A1LMNATHRB

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 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.