SCHEMBL16592324

SCHEMBL16592324

CC#Cc1cc(C)c(-c2c(OC(=O)C(C)(C)C)n3n(c2=O)CCOCC3)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CNR2 P34972 3/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL16592328 0.90 CNR1 (0.36) CNR2CNR1
SCHEMBL16592323 0.90 CNR1 (0.34) CNR2CNR1
SCHEMBL16585701 0.89 CNR1 (0.36) TSHRCNR2CNR1
SCHEMBL16562417 0.84 ALDH1A1 (0.32) TSHR
SCHEMBL16562399 0.84 TSHR (0.35) POLBTSHRCNR1
SCHEMBL16592233 0.79 POLB (0.32) POLBCNR2CNR1
Pinoxaden SCHEMBL64416 0.78 ELANE (0.33) TSHRCNR2CNR1RAB9ACYP1A2
Pinoxaden SCHEMBL29359629 0.78 ELANE (0.33) TSHRCNR2CNR1RAB9ACYP1A2
SCHEMBL13672448 0.76 CNR1 (0.38) POLBTSHRCNR2CNR1
SCHEMBL16592332 0.76 ELANE (0.31) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2016-08-04 — — US disclosed
US-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2016-08-04 — — US disclosed
WO-2015040114-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES SYNGENTA LIMITED (GB) 2015-03-26 — — 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-20160219881-A1 HERBICIDALLY ACTIVE 2-HALOGEN-4-ALKYNYL-PHENYL-PYRAZOLIDINE-DIONE OR PYRROLIDINE-DIONE DERIVATIVES CBR3, CBR1, CNPY2 POLB 3852/4885TSHR 973/4885CNR2 304/4885

“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.

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