SCHEMBL4800717

SCHEMBL4800717

CCOC(=O)C(C(=O)OCC)c1cnc(OC)nc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
POLB P06746 1/20 0.41
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
ACACB O00763 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CTSK P43235 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CRHR1 P34998 1/20 0.36
PLAU P00749 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HIF1A Q16665 1/20 0.35
MDM2 Q00987 1/20 0.35
PDGFRB P09619 1/20 0.34

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
SCHEMBL4800752 0.78 ACACB (0.38) TSHRPOLBACACBCRHR1PLAU
SCHEMBL31280071 0.72 TSHR (0.45) TSHRPOLBCDC7DBF4ACACB
SCHEMBL4805217 0.72 DGAT1 (0.37) POLBSMN1; SMN2TDP1CYP1A2CYP2C9
SCHEMBL19355446 0.72 CRHR1 (0.43) TSHRACACBCRHR1PLAUCYP1A2
SCHEMBL2611028 0.71 PIK3CA (0.39) ACACBALDH1A1SMN1; SMN2CRHR1PLAU
SCHEMBL2292326 0.71 ALDH1A1 (0.34) TSHRPOLBALDH1A1CTSKSMN1; SMN2
SCHEMBL29180861 0.70 MAPT (0.45) POLBALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL12044436 0.70 CRHR1 (0.43) TSHRACACBHSD17B10ALDH1A1CRHR1
SCHEMBL11597406 0.68 HSP90AA1 (0.47) TSHRALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL24094774 0.68 NNMT (0.40) TSHRPOLBACACBALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS ZHANG XUQING 2008-09-11 US disclosed
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS ZHANG XUQING 2008-09-11 US disclosed
US-7399767-B2 Heterocyclic benzo[c]chromene derivatives useful as modulators of the estrogen receptors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-15 US disclosed
US-7399767-B2 Heterocyclic benzo[c]chromene derivatives useful as modulators of the estrogen receptors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-15 US disclosed
CN-101146798-A Novel heterocyclic benzo[C]chromene derivatives useful as modulators of the estrogen receptors JANSSEN PHARMACEUTICA NV (BE) 2008-03-19 CN disclosed
EP-1846397-A1 NOVEL HETEROCYCLIC BENZOY[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
US-20060205741-A1 Novel heterocyclic benzo[c]chromene derivatives useful as modulators of the estrogen receptors JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-14 US disclosed
WO-2006078834-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-27 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-20060205741-A1 Novel heterocyclic benzo[c]chromene derivatives useful as modulators of the estrogen receptors GPER1, ESR1, ESR2 TSHR 156/4885POLB 3573/4885CDC7 1834/4885
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS GPER1, ESR1, ESR2 TSHR 156/4885POLB 3573/4885CDC7 1834/4885

“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.