SCHEMBL15782893

SCHEMBL15782893

Cc1ccc(-c2cnn(CC(C)(C)O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
MAP4K4 O95819 1/20 0.48
CCNC P24863 2/20 0.47
CDK8 P49336 2/20 0.47
TTK P33981 4/20 0.45
KIT P10721 4/20 0.45
ALOX5AP P20292 3/20 0.44
PDK2 Q15119 2/20 0.44
FEN1 P39748 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CDK19 Q9BWU1 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
PIM1 P11309 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
SCHEMBL15288708 0.86 KCNH2 (0.51) FFAR1MAP4K4CCNCCDK8TTK
SCHEMBL17608240 0.83 FFAR1 (0.50) FFAR1MAP4K4CCNCCDK8TTK
SCHEMBL17809694 0.82 LRRK2 (0.45) TTKLRRK2
SCHEMBL29718778 0.82 CDK8 (0.51) FFAR1MAP4K4CCNCCDK8TTK
SCHEMBL20400196 0.80 FFAR1 (0.48) FFAR1MAP4K4CCNCCDK8TTK
SCHEMBL15200528 0.79 FFAR1 (0.53) FFAR1MAP4K4TTKALOX5APPDK2
SCHEMBL17809809 0.78 LRRK2 (0.64) LRRK2PIM1
SCHEMBL15262270 0.77 FFAR1 (0.51) FFAR1MAP4K4CCNCCDK8TTK
SCHEMBL10195600 0.77 NAMPT (0.49) MAP4K4KITPDK2LRRK2
SCHEMBL15299283 0.77 FFAR1 (0.74) FFAR1MAP4K4CCNCCDK8TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597310-B2 Indanyloxydihydrobenzofuranylacetic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-21 US disclosed
US-20160235706-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-18 US disclosed
US-20140163025-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-12 US 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-20140163025-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPBAR1, GPR52 FFAR1 6/4885MAP4K4 2779/4885CCNC 3447/4885
US-20160235706-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, GPBAR1, GPR52 FFAR1 6/4885MAP4K4 2779/4885CCNC 3447/4885

“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.