SCHEMBL3033974

SCHEMBL3033974

CCc1ccc(-c2nc(C)cs2)cc1C1C(=O)C2CCC(C2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.36
ADORA2A P29274 2/20 0.34
CYP19A1 P11511 1/20 0.34
RAB9A P51151 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
SREBF1 P36956 1/20 0.33
SREBF2 Q12772 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
AOC3 Q16853 2/20 0.33
ADORA1 P30542 1/20 0.33
MIF P14174 1/20 0.33
TYK2 P29597 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
SCHEMBL12115760 0.75 ADORA2A (0.38) TGFBR1ADORA2ACYP19A1RAB9APPARD
SCHEMBL12116104 0.75 ADORA2A (0.38) TGFBR1ADORA2ACYP19A1RAB9APPARD
SCHEMBL18971228 0.75 ADORA2A (0.38) TGFBR1ADORA2ACYP19A1RAB9APPARD
SCHEMBL24981715 0.71 AOC3 (0.42) TGFBR1ADORA2ACYP19A1RAB9ASREBF1
SCHEMBL3028271 0.71 IDO1 (0.31)
SCHEMBL415663 0.71 TSHR (0.37)
SCHEMBL3030921 0.70 GRIA2 (0.38) RAB9ACYP3A4CNR2
SCHEMBL25872952 0.68 CYP2E1 (0.42) TGFBR1ADORA2ACYP19A1RAB9ASREBF1
SCHEMBL3035447 0.68 GABRG2 (0.32)
SCHEMBL3016933 0.68 LPL (0.34)

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
EP-2155645-B1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LTD (GB) 2017-06-14 EP disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 US disclosed
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 US disclosed
EP-2155645-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS Syngenta Limited (GB) 2010-02-24 EP disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 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-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS DDT, CYP1B1, CYP1A1 TGFBR1 2270/4885ADORA2A 2849/4885CYP19A1 8/4885

“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.