Sugi Predict

Sugi Predict / Compounds / SCHEMBL4800752

SCHEMBL4800752

SCHEMBL4800752

CCC(C)OC(=O)C(C(=O)O)c1cnc(OC)nc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 2/20 0.38
▸ MAPT P10636 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ STING1 Q86WV6 2/20 0.32
▸ PLAU P00749 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ GABRG2 P18507 4/20 0.31
▸ GABRB3 P28472 4/20 0.31
▸ GABRA2 P47869 4/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ GABRA1 P14867 3/20 0.31
▸ GABRA5 P31644 3/20 0.31
▸ GABRA3 P34903 3/20 0.31
▸ PPARA Q07869 1/20 0.31

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
SCHEMBL4805230 0.78 — —
SCHEMBL4805443 0.72 OXTR (0.41) ACACBMAPTPOLB
SCHEMBL2645148 0.69 MAPT (0.37) MAPTGABRG2GABRB3GABRA2GABRA1
SCHEMBL5772798 0.69 MAPT (0.35) MAPTSTING1GABRG2GABRB3GABRA2
SCHEMBL2611028 0.69 PIK3CA (0.39) ACACBCRHR1PLAU
SCHEMBL12985769 0.68 MAPT (0.39) MAPTPOLBGABRG2GABRB3GABRA2
SCHEMBL5309259 0.68 MAPT (0.36) MAPT
SCHEMBL1964920 0.68 MAPT (0.39) MAPTTSHRGABRG2GABRB3GABRA2
SCHEMBL538763 0.67 MAPT (0.52) MAPTPOLBTSHRPPARA
SCHEMBL4534445 0.67 MAPT (0.37) MAPTPOLBGABRG2GABRB3GABRA2

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 5 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-7399767-B2 Heterocyclic benzo[c]chromene derivatives useful as modulators of the estrogen receptors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-15 — — US 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 ACACB 924/4885MAPT 3165/4885CRHR1 64/4885
US-20080221125-A1 NOVEL HETEROCYCLIC BENZO[C]CHROMENE DERIVATIVES USEFUL AS MODULATORS OF THE ESTROGEN RECEPTORS GPER1, ESR1, ESR2 ACACB 924/4885MAPT 3165/4885CRHR1 64/4885

“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.