SCHEMBL5778741

SCHEMBL5778741

CC(C)=CC(=O)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
TRPV1 Q8NER1 3/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.45
PRSS1 P07477 1/20 0.44
ACR P10323 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL10627816 0.82 MAPT (0.58) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL28894232 0.82 MAPT (0.58) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL10282082 0.82 MAPT (0.46) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL4398762 0.81 MAPT (0.56) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL337701 0.80 MAPT (0.59) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL34007 0.79 MAPT (0.54) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL22832179 0.79 MAPT (0.58) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL47809 0.78 MAPT (0.61) MAPTTDP1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL13754641 0.77 SMN1; SMN2 (0.44) MAPTSMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL6775105 0.77 MAPT (0.56) MAPTTDP1L3MBTL1RAB9ASMN1; 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-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 MAPT 236/4885TDP1 2133/4885L3MBTL1 3731/4885

“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.