SCHEMBL19396013

SCHEMBL19396013

CCCc1ccc(CC#N)o1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 1/20 0.31
ALOX5 P09917 1/20 0.31
TLR8 Q9NR97 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
SCHEMBL3672942 0.84 KDM4E (0.32) POLBALDH1A1
SCHEMBL4310919 0.82 TLR8 (0.38) POLBALDH1A1EPHX2ALOX5TLR8
Benzene SCHEMBL28095277 0.80 MEN1 (0.35) POLBALDH1A1
SCHEMBL19963527 0.75 TSHR (0.33) POLBALOX5TLR8
SCHEMBL13274053 0.75 MEN1 (0.42) POLBALDH1A1EPHX2ALOX5TLR8
SCHEMBL3470369 0.74
SCHEMBL19396012 0.73 NPC1 (0.33) POLB
SCHEMBL17541776 0.72 ALDH1A1 (0.38) POLBALDH1A1
SCHEMBL6421490 0.71 ALDH1A1 (0.48) POLBALDH1A1EPHX2ALOX5TLR8
SCHEMBL3183584 0.71 ALDH1A1 (0.46) POLBALDH1A1EPHX2ALOX5TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2017-09-28 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-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF DDC, DDT, DAO POLB 2749/4885ALDH1A1 733/4885EPHX2 1292/4885

“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.