SCHEMBL4490230

SCHEMBL4490230

CC(CC(=O)C(F)(F)F)(CC1=COCO1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.40
FAAH O00519 3/20 0.38
CPA1 P15085 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MLYCD O95822 1/20 0.33
CHRM1 P11229 3/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MMP8 P22894 1/20 0.32
HIF1A Q16665 1/20 0.31

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
SCHEMBL30249779 0.72 HIF1A (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1131124 0.70 RIPK1 (0.56) CYP2C9CYP2C19SMN1; SMN2MMP8
SCHEMBL4329261 0.66 CYP1A2 (0.36) CPA1ALDH1A1SMN1; SMN2HIF1A
SCHEMBL218277 0.66 MAOA (0.39) ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL406701 0.66 CES1 (0.42) CES1ALDH1A1SMN1; SMN2
SCHEMBL7412489 0.64 CES1 (0.55) CES1FAAHCPA1CYP2C9CYP2C19
SCHEMBL182272 0.64 CALM1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL2937880 0.64 NPSR1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL5741329 0.62 CYP1A2 (0.61) CPA1
SCHEMBL3443952 0.62 CYP2C9 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2

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
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-19 US disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R CES1 1445/4885FAAH 3507/4885CPA1 1425/4885
US-20040162321-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R CES1 855/4885FAAH 1728/4885CPA1 665/4885

“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.