SCHEMBL10196259

SCHEMBL10196259

CCc1ccc(Oc2ncc(Cl)cc2Cl)cc1C1=C(O)C2C(C1=O)[C@H]1CC[C@@H]2CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LIPE Q05469 4/20 0.41
BCHE P06276 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
DRD1 P21728 1/20 0.38
SCN9A Q15858 2/20 0.36
PPARG P37231 2/20 0.34
IP6K1 Q92551 8/20 0.33
IP6K3 Q96PC2 2/20 0.33
IP6K2 Q9UHH9 2/20 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
SCHEMBL19070882 1.00 MAPK1 (0.44) MAPK1LMNACYP2C9TSHRAPEX1
SCHEMBL19070614 0.91 BACE1 (0.37) PPARGIP6K1
SCHEMBL10196081 0.91 BACE1 (0.37) PPARGIP6K1
SCHEMBL10196258 0.88 RAB9A (0.46) LMNASMN1; SMN2LIPESCN9APPARG
SCHEMBL10196296 0.88 SCN9A (0.33) MAPK1LMNACYP2C9TSHRAPEX1
SCHEMBL19071475 0.88 SCN9A (0.33) MAPK1LMNACYP2C9TSHRAPEX1
SCHEMBL19071204 0.88 RAB9A (0.46) LMNASMN1; SMN2LIPESCN9APPARG
SCHEMBL19070975 0.88 MAPK1 (0.42) MAPK1LMNACYP2C9TSHRAPEX1
SCHEMBL10196315 0.88 MAPK1 (0.42) MAPK1LMNACYP2C9TSHRAPEX1
SCHEMBL10196266 0.87 USP2 (0.30) MAPK1CYP2C9TSHR

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
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 MAPK1 2263/4885LMNA 4657/4885CYP2C9 249/4885

“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.