SCHEMBL19608604

SCHEMBL19608604

CCCCCCCC(CCCCCC)C(=O)NCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.46
CA2 P00918 3/20 0.44
EPHX1 P07099 1/20 0.43
MAPT P10636 1/20 0.42
MMP3 P08254 10/20 0.41
MMP2 P08253 9/20 0.41
MMP1 P03956 8/20 0.41
MMP7 P09237 4/20 0.41
CA1 P00915 2/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
MMP9 P14780 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40

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
SCHEMBL19608618 0.90 BIRC2 (0.46) BIRC2CA2EPHX1MAPTMMP3
SCHEMBL21538503 0.83 HDAC7 (0.46) BIRC2CA2MMP3MMP2MMP1
SCHEMBL20942699 0.83 CA2 (0.49) BIRC2CA2MMP3MMP2MMP1
SCHEMBL24419530 0.80 BIRC2 (0.43) BIRC2CA2MMP3MMP2MMP1
SCHEMBL21250702 0.80 CA2 (0.52) BIRC2CA2EPHX1MAPTCA1
SCHEMBL26030776 0.80 CA2 (0.52) BIRC2CA2EPHX1MAPTCA1
SCHEMBL18612532 0.80 CA2 (0.52) BIRC2CA2EPHX1MAPTCA1
SCHEMBL8431170 0.80 CA2 (0.52) BIRC2CA2EPHX1MAPTCA1
SCHEMBL28601020 0.80 CA2 (0.52) BIRC2CA2EPHX1MAPTCA1
SCHEMBL22857535 0.78 GNAI3 (0.56) CA2EPHX1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-14 US disclosed
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 BIRC2 8/4885CA2 3307/4885EPHX1 745/4885
US-20170355714-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 BIRC2 15/4885CA2 2935/4885EPHX1 761/4885

“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.