SCHEMBL19396018

SCHEMBL19396018

CCc1ccc(CC(C)[N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
FAAH O00519 1/20 0.39
ACACB O00763 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALPG P10696 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
TP53 P04637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KCNJ1 P48048 1/20 0.34

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
SCHEMBL17548908 0.92 FAAH (0.43) FAAHALDH1A1MEN1KMT2ATAAR1
SCHEMBL19395994 0.86 FAAH (0.51) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL395680 0.82 LOXL2 (0.52) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5878373 0.82 ACACB (0.40) FAAHACACBMEN1KMT2AMAPT
SCHEMBL11036512 0.82 CPA1 (0.49) MEN1KMT2ATP53TAAR1
SCHEMBL3289735 0.82 CPA1 (0.49) MEN1KMT2ATP53TAAR1
SCHEMBL28125322 0.79 KCNJ1 (0.43) FAAHALDH1A1KMT2AKCNJ1KCNH2
SCHEMBL19559508 0.79 SLC6A4 (0.55) ACACBKMT2AGAAL3MBTL1KCNJ1
SCHEMBL17548877 0.78 L3MBTL1 (0.40) FAAHALDH1A1MEN1KMT2AMAPT
SCHEMBL10976203 0.78 POLB (0.49) ACACBALDH1A1MEN1KMT2AMAPT

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 CA2 2782/4885FAAH 1279/4885ACACB 2802/4885

“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.