SCHEMBL21940322

SCHEMBL21940322

CCc1nc2ccccc2c(CC)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
RAD52 P43351 1/20 0.47
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR3 P46089 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL28704700 0.84 KDM4E (0.50) GAAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL10496106 0.83 GPR3 (0.53) GAAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL29802894 0.80 ALDH1A1 (0.53) GAAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL3343183 0.80 KDM4E (0.69) GAAKDM4EALDH1A1HPGDKMT2A
Iodide SCHEMBL10800767 0.78 KDM4E (0.67) GAAKDM4EALDH1A1HPGDKMT2A
SCHEMBL21939928 0.77 GAA (0.50) GAAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL21939924 0.77 LATS1 (0.41)
SCHEMBL25082420 0.76 SMN1; SMN2 (0.50) GAAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL27999716 0.76 POLB (0.50) GAAKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL12533981 0.76 KMT2A (0.64) GAAKDM4EALDH1A1HPGDL3MBTL1

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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 GAA 3044/4885KDM4E 2569/4885ALDH1A1 2016/4885

“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.