SCHEMBL5778796

SCHEMBL5778796

COCC(C)(CC=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK1 P28482 1/20 0.36
KCNN4 O15554 1/20 0.35
ALDH1A1 P00352 4/20 0.34
ALOX15 P16050 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
CES1 P23141 1/20 0.33
MAPT P10636 1/20 0.32
AKT1 P31749 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
SCHEMBL812875 0.82 CYP2C19 (0.48) CYP2C19HIF1AMAPK1KCNN4ALDH1A1
SCHEMBL5777855 0.82 ALDH1A1 (0.43) CYP2C19HIF1AMAPK1KCNN4ALDH1A1
SCHEMBL10264467 0.82 CYP2C19 (0.36) CYP2C19HIF1AALDH1A1KDM4ELMNA
SCHEMBL117719 0.77 KCNN4 (0.42) CYP2C19HIF1AKCNN4ALDH1A1ALOX15
SCHEMBL29114278 0.76 CYP2C19 (0.44) CYP2C19HIF1AMAPK1ALDH1A1TAAR1
SCHEMBL3367891 0.76 CYP2C19 (0.44) CYP2C19HIF1AMAPK1KCNN4ALDH1A1
SCHEMBL3634192 0.75 CYP2C19 (0.43) CYP2C19HIF1AMAPK1ALDH1A1TAAR1
SCHEMBL19112331 0.74 MAPK1 (0.39) CYP2C19HIF1AMAPK1KCNN4ALDH1A1
SCHEMBL28605222 0.74 MAPK1 (0.39) CYP2C19HIF1AMAPK1KCNN4ALDH1A1
SCHEMBL159524 0.74 CYP2C19 (0.42) CYP2C19HIF1AALDH1A1TAAR1LMNA

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-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 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
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R CYP2C19 567/4885HIF1A 3643/4885MAPK1 1017/4885

“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.