SCHEMBL5495793

SCHEMBL5495793

CC1=CC(C)(C)Nc2c(C)ccc(C)c21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ HPGD P15428 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PGR P06401 13/20 0.40
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 1/20 0.35

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
SCHEMBL5498846 0.85 PGR (0.43) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL5501394 0.76 ACHE (0.40) ALDH1A1KDM4EMAPTHSD17B10LMNA
SCHEMBL5504997 0.73 ELANE (0.37) ALDH1A1KDM4EMAPTHSD17B10LMNA
SCHEMBL12647196 0.72 PGR (0.43) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL8024917 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL5508770 0.70 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL6650129 0.67 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL10840500 0.62 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL5504578 0.62 CES1 (0.46) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL26649009 0.61 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 — — US disclosed
CN-101018552-A Intracellular receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-08-15 — — CN disclosed
EP-1778233-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2007-05-02 — — EP disclosed
WO-2006019716-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2006-02-23 — — 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 (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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 ALDH1A1 4580/4885KDM4E 4073/4885HPGD 3425/4885

“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.

Send feedback