SCHEMBL5740940

SCHEMBL5740940

Cc1cc(C)c(N2[CH]N(c3c(C)cc(C)cc3C)CC2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 3/20 0.36
RAPGEF4 Q8WZA2 2/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 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
SCHEMBL28399885 0.77 HTR7 (0.45) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL34512 0.75 ALDH1A1 (0.35) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL20106885 0.74 ALDH1A1 (0.60) ALDH1A1MAPTNPSR1POLBHTT
Hydrochloric Acid SCHEMBL552835 0.73 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1POLBHTT
Bromide SCHEMBL30353850 0.73 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1POLBHTT
Iodide SCHEMBL28719252 0.73 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL12867936 0.73 ALDH1A1 (0.39) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL7945380 0.72 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL22188949 0.72 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL2895440 0.72 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107434838-B Phosphorus-containing olefin polymer, preparation method thereof, composition thereof and finished product 台光电子材料股份有限公司 2020-09-18 CN disclosed
CN-103936793-B Catalyst containing carbene ligand, its preparation method and its application in double decomposition reaction 光明创新(武汉)有限公司 2017-02-08 CN disclosed
CN-106103472-A Stabilized polypeptides and uses thereof 哈佛大学的校长及成员们 2016-11-09 CN disclosed
US-9334297-B2 Chiral imidazolium salts for asymmetric catalysis NORTHWESTERN UNIVERSITY (US) 2016-05-10 US disclosed
US-20160075728-A1 Chiral Imidazolium Salts for Asymmetric Catalysis NATIONAL SCIENCE FOUNDATION 2016-03-17 US disclosed
EP-1615949-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC COMPOUNDS BY RUTHENIUM COMPLEX CATALYSED METATHESIS REACTION Boehringer Ingelheim International GmbH (DE) 2006-01-18 EP disclosed
US-20040248779-A1 Process for the preparation of macrocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-09 US disclosed
WO-2004089974-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC COMPOUNDS BY RUTHENIUM COMPLEX CATALYSED METATHESIS REACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-10-21 WO 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-20160075728-A1 Chiral Imidazolium Salts for Asymmetric Catalysis NDC1, NUDC, NIT2 ALDH1A1 2659/4885MAPT 3842/4885NPSR1 3425/4885
US-20040248779-A1 Process for the preparation of macrocyclic compounds CCND2, CYP1B1, PRMT1 ALDH1A1 1680/4885MAPT 3723/4885NPSR1 1252/4885

“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.