SCHEMBL5777855

SCHEMBL5777855

C=CCC(C)(COC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
ATM Q13315 1/20 0.37
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.32
KCNN4 O15554 1/20 0.32

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) ALDH1A1MAPK1MAPTCYP2C19HIF1A
SCHEMBL5778796 0.82 CYP2C19 (0.43) ALDH1A1TSHRMAPK1MAPTCYP2C19
SCHEMBL9806293 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHTTMAPK1MAPT
SCHEMBL4713930 0.79 ALDH1A1 (0.49) ALDH1A1TSHRHTTMAPK1MAPT
SCHEMBL13126929 0.78 ALDH1A1 (0.46) ALDH1A1TSHRHTTMAPK1MAPT
SCHEMBL5776904 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHTTMAPK1MAPT
SCHEMBL117770 0.77 ALDH1A1 (0.46) ALDH1A1TSHRHTTMAPK1MAPT
SCHEMBL17120416 0.75 TSHR (0.43) ALDH1A1TSHRHTTMAPK1MAPT
SCHEMBL1501852 0.72 TAAR1 (0.52) ALDH1A1TSHRHTTMAPK1MAPT
SCHEMBL1591769 0.72 ALDH1A1 (0.52) ALDH1A1TSHRHTTMAPK1MAPT

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 ALDH1A1 3621/4885TSHR 229/4885HTT 1629/4885

“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.