SCHEMBL1853155

SCHEMBL1853155

CC(=O)c1ccc(C(C)(C)C)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 2/20 0.54
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
ATP2A2 P16615 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATP2A3 Q93084 1/20 0.48
PKM P14618 1/20 0.47
HTT P42858 2/20 0.46
SIRT1 Q96EB6 1/20 0.44
CYP2A6 P11509 1/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
APEX1 P27695 1/20 0.44
KMT2A Q03164 1/20 0.44
CTDSP1 Q9GZU7 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
SCHEMBL2582866 0.84 POLB (0.59) ALDH1A1MAPTALOX15KDM4ECYP1A2
SCHEMBL1730526 0.84 ESRRA (0.68) ESRRAALDH1A1MAPTALOX15KDM4E
SCHEMBL8152599 0.83 ESRRA (0.49) ESRRAALDH1A1MAPTPKMHTT
SCHEMBL24445837 0.82 KIF11 (0.56) ESRRAMAPTPKMHTTPOLB
SCHEMBL18618101 0.82 LCK (0.48) ESRRAALDH1A1MAPTALOX15KDM4E
SCHEMBL11414783 0.80 ALDH1A1 (0.48) ESRRAALDH1A1MAPTALOX15KDM4E
SCHEMBL12251367 0.80 ESRRA (0.46) ESRRAALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL9631377 0.79 HSP90AA1 (0.47) ESRRAALDH1A1MAPTALOX15KDM4E
SCHEMBL3372362 0.79 CA1 (0.65) ALDH1A1MAPTALOX15KDM4ECYP1A2
SCHEMBL12261639 0.79 HSP90AA1 (0.55) ESRRAALDH1A1MAPTALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 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 (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-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST F2R, F2RL1, F2RL3 ESRRA 2922/4885ALDH1A1 1921/4885MAPT 3412/4885

“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.