SCHEMBL3024910

SCHEMBL3024910

CCC1(Cc2ccc(F)cc2)C(=O)N(C)/C(=C/c2c(C)cccc2C#N)C(=O)N1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3024912 1.00 KDM4E (0.33) KDM4EALDH1A1HSD17B10PKMHPGD
SCHEMBL3018037 0.92 LMNA (0.32) LMNA
SCHEMBL3018040 0.92 LMNA (0.32) LMNA
SCHEMBL3025263 0.92 ELANE (0.32) KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3025266 0.92 ELANE (0.32) KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3010591 0.89 LMNA (0.34) KDM4EALDH1A1PKMHPGDLMNA
SCHEMBL3010594 0.89 LMNA (0.34) KDM4EALDH1A1PKMHPGDLMNA
SCHEMBL3791035 0.89 LMNA (0.34) LMNA
SCHEMBL3791036 0.89 LMNA (0.34) LMNA
SCHEMBL3026078 0.88 KDM4E (0.34) KDM4EALDH1A1HSD17B10PKMHPGD

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 KDM4E 4015/4885ALDH1A1 983/4885HSD17B10 790/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR KDM4E 2283/4885ALDH1A1 1128/4885HSD17B10 121/4885

“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.