SCHEMBL3028113

SCHEMBL3028113

CCC1(Cc2ccccc2)C(=O)N(C)/C(=C\c2c(F)cccc2C#N)C(=O)N1C

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3028114 1.00 ELANE (0.31) ELANEKDM4EHPGDTSHRHSD17B10
SCHEMBL3018040 0.93 LMNA (0.32)
SCHEMBL3018037 0.93 LMNA (0.32)
SCHEMBL3017958 0.90 PGR (0.31) ELANE
SCHEMBL3017961 0.90 PGR (0.31) ELANE
SCHEMBL3025266 0.89 ELANE (0.32) ELANEKDM4EHPGDTSHRHSD17B10
SCHEMBL3025263 0.89 ELANE (0.32) ELANEKDM4EHPGDTSHRHSD17B10
SCHEMBL3796313 0.88 ELANE (0.31) ELANE
SCHEMBL3796312 0.88 ELANE (0.31) ELANE
SCHEMBL3022091 0.87 PGR (0.32) ELANE

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-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US claimed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 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 (2 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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 ELANE 3135/4885KDM4E 4015/4885HPGD 1222/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR ELANE 4638/4885KDM4E 2283/4885HPGD 944/4885

“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.