SCHEMBL5854700

SCHEMBL5854700

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCc2ccc(OCCO)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
FFAR1 O14842 4/20 0.34
MAOB P27338 4/20 0.33
PPARA Q07869 1/20 0.33
PTPN1 P18031 1/20 0.33
MAOA P21397 3/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33

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
SCHEMBL5854989 0.94 PPARG (0.34) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL5855935 0.91 PTPN1 (0.38) PPARGPPARDFFAR1MAOBPPARA
SCHEMBL5854043 0.89 PTPN1 (0.37) PPARGPPARDFFAR1PPARAPTPN1
SCHEMBL5854285 0.88 PTPN1 (0.36) PPARGPPARDFFAR1PPARAPTPN1
SCHEMBL5854607 0.88 PTPN1 (0.36) PPARGPPARDFFAR1PPARAPTPN1
SCHEMBL5854712 0.88 PTPN1 (0.33) PTPN1HTR2BTMEM97SIGMAR1
SCHEMBL5854163 0.88 PTPN1 (0.37) PPARGPPARDFFAR1PPARAPTPN1
SCHEMBL5855996 0.87 PPARA (0.35) PPARGPPARDFFAR1MAOBPPARA
SCHEMBL5855990 0.85 PTPN1 (0.31) PTPN1HTR2BTMEM97SIGMAR1
SCHEMBL5857317 0.84 MAOB (0.35) PPARGPPARDFFAR1MAOBPPARA

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-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 MEN1 3858/4885USP2 3439/4885ALDH1A1 453/4885

“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.