SCHEMBL3591554

SCHEMBL3591554

CC(C)COC(=O)c1cn(CC(C)C)c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
ICMT O60725 4/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR2 P34972 2/20 0.40
CNR1 P21554 2/20 0.40
HTR3A P46098 2/20 0.39
MAPT P10636 3/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 1/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL3588680 0.83 ICMT (0.46) ALDH1A1ICMTPOLBCNR2CNR1
SCHEMBL3596003 0.83 ICMT (0.46) ICMTPOLBCNR2CNR1KCNH2
SCHEMBL3585665 0.82 ICMT (0.50) ICMTPOLBKDM4ECNR2CNR1
SCHEMBL26675265 0.79 ALDH1A1 (0.46) ALDH1A1TSHRICMTKDM4EHTR3A
SCHEMBL20787967 0.76 PDE4A (0.44) ALDH1A1ICMTPOLBMAPTPDE4A
SCHEMBL235864 0.74 ALDH1A1 (0.64) ALDH1A1TSHRKDM4EHPGDMAPT
SCHEMBL24144389 0.74 NR1D1 (0.56) ALDH1A1TSHRICMTKCNH2SCN5A
SCHEMBL20769701 0.73 ICMT (0.57) ALDH1A1ICMTLMNA
SCHEMBL4038440 0.73 NR4A2 (0.49) TSHRICMTKDM4EMAPTLMNA
SCHEMBL21866043 0.73 ALDH1A1 (0.57) ALDH1A1TSHRPOLBKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
EP-2041127-A2 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-01 EP disclosed
EP-2041126-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 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 (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-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor PTGER1, PTGER2, PTGER3 ALDH1A1 608/4885TSHR 186/4885ICMT 946/4885
US-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 ALDH1A1 515/4885TSHR 314/4885ICMT 441/4885

“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.