SCHEMBL5855935

SCHEMBL5855935

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
TMEM97 Q5BJF2 2/20 0.35
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CALM1 P0DP23 1/20 0.34
ESR1 P03372 1/20 0.33
CYP19A1 P11511 1/20 0.33
ESR2 Q92731 1/20 0.33
GRIN2B Q13224 1/20 0.33
IGF1R P08069 2/20 0.31
EGFR P00533 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
HTR1A P08908 1/20 0.31
PPARG P37231 2/20 0.31
FFAR1 O14842 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 3/20 0.31
MAOB P27338 1/20 0.31
ADRB2 P07550 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
SCHEMBL5854700 0.91 MEN1 (0.35) PTPN1TMEM97HTR2BSIGMAR1GRIN2B
SCHEMBL5854712 0.89 PTPN1 (0.33) PTPN1TMEM97HTR2BSIGMAR1
SCHEMBL5854989 0.88 PPARG (0.34) PTPN1TMEM97HTR2BSIGMAR1GRIN2B
SCHEMBL5854043 0.86 PTPN1 (0.37) PTPN1TMEM97HTR2BSIGMAR1HTR1A
SCHEMBL5855990 0.86 PTPN1 (0.31) PTPN1TMEM97HTR2BSIGMAR1
SCHEMBL27570996 0.86 TMEM97 (0.40) TMEM97HTR2BSIGMAR1CALM1ESR1
SCHEMBL5854516 0.86 PTPN1 (0.34) PTPN1SIGMAR1PPARGFFAR1PPARD
SCHEMBL5855986 0.86 PTPN1 (0.31) PTPN1ADRB2
SCHEMBL5854607 0.85 PTPN1 (0.36) PTPN1TMEM97HTR2BSIGMAR1HTR1A
SCHEMBL5854285 0.85 PTPN1 (0.36) PTPN1TMEM97HTR2BSIGMAR1HTR1A

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 6 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
CN-1312803-A Novel benzopyran or benzothiopyran derivatives C & C RES LAB (KR) 2001-09-12 CN 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 PTPN1 384/4885TMEM97 1587/4885HTR2B 2643/4885

“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.