SCHEMBL6846542

SCHEMBL6846542

CCOC(=O)c1cc(C)n(-c2c(C)cc(C)cc2C)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
TNNI3 P19429 1/20 0.47
CASP1 P29466 1/20 0.47
BRCA1 P38398 1/20 0.47
TNNT2 P45379 1/20 0.47
CASP7 P55210 1/20 0.47
TNNC1 P63316 1/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.46
LMNA P02545 3/20 0.43
TSHR P16473 5/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL6136982 0.77 KDM4E (0.59) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL4935726 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL17861200 0.75 RAB9A (0.66) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL20234069 0.73 TSHR (0.52) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL21730568 0.70 CYP3A4 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18050553 0.70 CYP3A4 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11067613 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL28373164 0.69 ALDH1A1 (0.42) ALDH1A1HPGDMAPTKMT2AUSP2
SCHEMBL2069863 0.69 TSHR (0.44) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL624362 0.68 CHEK2 (0.59) ALDH1A1KDM4EHPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390518-B1 BUFFER SOLUTION FOR ELECTROPORATION AND A METHOD COMPRISING THE USE OF THE SAME AMAXA GMBH (DE) 2004-10-06 EP disclosed
US-20040157851-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-08-12 US disclosed
US-20040087589-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-05-06 US disclosed
US-6531475-B1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-03-11 US disclosed
US-6514982-B1 Corticotropin releasing factor is believed to be the major physiological regulator of the basal and stress-release of adrenocorticotropic hormone, beta -endorphin, and other pro-opiomelanocortin-derived peptides from the pituitary NEUROCRINE BIOSCIENCES, INC. 2003-02-04 US disclosed
WO-2001087885-A1 CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2001-11-22 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-20040157851-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R ALDH1A1 1499/4885KDM4E 4773/4885HPGD 1875/4885
US-20040087589-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRHR2, MC2R ALDH1A1 1499/4885KDM4E 4773/4885HPGD 1875/4885

“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.