SCHEMBL1995924

SCHEMBL1995924

CC(C)(C)CCc1ccccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
FOLH1 Q04609 1/20 0.41
METAP2 P50579 1/20 0.40
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
BCAT2 O15382 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.37
NR1I2 O75469 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL7991923 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTSHRFOLH1
SCHEMBL6445972 0.84 FOLH1 (0.59) ALDH1A1KDM4EHPGDTSHRFOLH1
SCHEMBL4735612 0.82 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL28316789 0.82 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL13508575 0.81 KDM4E (0.45) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL29818200 0.81 KDM4E (0.45) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL334956 0.79 KMT2A (0.47) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL28890207 0.79 AKR1C3 (0.47) ALDH1A1KDM4EMAPTTSHRFOLH1
SCHEMBL30177551 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL9324897 0.78 HPGD (0.43) ALDH1A1KDM4EMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 US claimed
US-9414600-B2 Active compound combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-16 US disclosed
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 US disclosed
US-8754009-B2 Active compound combinations BAYER CROPSCIENCE AG (DE) 2014-06-17 US disclosed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN ALDH1A1 4519/4885KDM4E 2720/4885MAPT 415/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN ALDH1A1 4519/4885KDM4E 2720/4885MAPT 415/4885

“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.