SCHEMBL4771137

SCHEMBL4771137

CCC(O)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.48
KIF11 P52732 1/20 0.44
CTSK P43235 3/20 0.43
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2D O15399 3/20 0.41
GRIN2C Q14957 3/20 0.41
GRIN2B Q13224 2/20 0.41
LMNA P02545 3/20 0.39
DUT P33316 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASR P41180 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL21087595 1.00 TK1 (0.48) TK1KIF11CTSKGRIN1GRIN2A
SCHEMBL2111572 0.88 KIF11 (0.50) TK1KIF11CTSKGRIN1GRIN2A
SCHEMBL6839988 0.84 LMNA (0.46) LMNATSHRCYP2C19
SCHEMBL15827068 0.84 MAPT (0.49) TK1KIF11CTSKLMNADUT
SCHEMBL14188993 0.84 CASR (0.50) TK1GRIN1GRIN2AGRIN2DGRIN2C
SCHEMBL465454 0.83 TK1 (0.46) TK1KIF11CTSKLMNADUT
SCHEMBL6522822 0.83 TK1 (0.46) TK1KIF11CTSKLMNADUT
SCHEMBL4917240 0.81 KIF11 (0.53) TK1KIF11CTSKDUTCYP2C9
SCHEMBL9613450 0.81 TK1 (0.45) TK1KIF11CTSKLMNADUT
SCHEMBL14168221 0.81 KIF11 (0.53) TK1KIF11CTSKDUTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US disclosed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP disclosed
US-20070015943-A1 Method of preparation of optically active alcohols POSTECH FOUNDATION (KR) 2007-01-18 US disclosed
US-20050054661-A1 Corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2005-03-10 US disclosed
WO-2005009935-A1 METHOD OF PREPARATION OF OPTICALLY ACTIVE ALCOHOLS POSTECH FOUNDATION (KR) 2005-02-03 WO disclosed
EP-1395591-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
WO-2002100863-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-12-19 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-20050054661-A1 Corticotropin releasing factor antagonists CRHR1, CRH, CRHR2 TK1 3953/4885KIF11 4309/4885CTSK 2211/4885

“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.