SCHEMBL5854236

SCHEMBL5854236

C=CCC1c2ccc(OCOC)cc2OCC1(C)c1ccc(OCOC)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
HTR2B P41595 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
HTR1A P08908 1/20 0.34
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
FFAR1 O14842 1/20 0.31
ROR1 Q01973 1/20 0.30

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
SCHEMBL7228024 0.86 HTR2B (0.32) PTPN1HTR2BSIGMAR1TMEM97HTR1A
SCHEMBL7813221 0.85 HTR2B (0.36) PTPN1HTR2BSIGMAR1TMEM97HTR1A
SCHEMBL7236346 0.85 HTR2B (0.31) PTPN1HTR2BSIGMAR1TMEM97HTR1A
SCHEMBL27560379 0.84 PTPN1 (0.35) PTPN1HTR2BSIGMAR1TMEM97HTR1A
SCHEMBL7226253 0.83 HTR2B (0.30) HTR2BSIGMAR1TMEM97HTR1A
SCHEMBL5854163 0.82 PTPN1 (0.37) PTPN1HTR2BSIGMAR1TMEM97HTR1A
SCHEMBL5856178 0.82 HTR2B (0.38) PTPN1HTR2BSIGMAR1TMEM97HTR1A
SCHEMBL27446174 0.81 PTPN1 (0.36) PTPN1HTR2BSIGMAR1TMEM97HTR1A
SCHEMBL5854043 0.81 PTPN1 (0.37) PTPN1HTR2BSIGMAR1TMEM97HTR1A
SCHEMBL5855214 0.81 PTPN1 (0.35) PTPN1HTR2BSIGMAR1TMEM97HTR1A

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 16 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
US-20030092695-A1 Metal salts of 3-methyl-chromane or thiochromane derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-15 US disclosed
US-6555571-B2 Hormone inhibitor; sexual disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-29 US disclosed
US-6552069-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
EP-1240156-A4 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-04-16 EP disclosed
EP-1240155-A4 METAL SALTS OF 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-04-16 EP disclosed
US-20030013756-A1 3-methyl -chromane or thiochromane derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-01-16 US disclosed
EP-1241166-A1 3-METHYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
EP-1240155-A1 METAL SALTS OF 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
EP-1240156-A1 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP disclosed
WO-2001042236-A1 METAL SALTS OF 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-06-14 WO disclosed
WO-2001042237-A1 3-METHYL-CHROMANE OR THIOCHROMANE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-06-14 WO 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 (3 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 384/4885HTR2B 2643/4885SIGMAR1 223/4885
US-20030092695-A1 Metal salts of 3-methyl-chromane or thiochromane derivatives NR5A1, SHBG, ESR1 PTPN1 3111/4885HTR2B 2220/4885SIGMAR1 2115/4885
US-20030013756-A1 3-methyl -chromane or thiochromane derivatives ESR2, GPER1, NR5A1 PTPN1 2258/4885HTR2B 863/4885SIGMAR1 1544/4885

“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.