SCHEMBL5853845

SCHEMBL5853845

Brc1ccc(C2COCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
KDM1A O60341 6/20 0.38
MAOB P27338 3/20 0.38
KCNH2 Q12809 2/20 0.38
RCOR1 Q9UKL0 2/20 0.38
KDM1B Q8NB78 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
MAOA P21397 1/20 0.34
MDM2 Q00987 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP2A6 P11509 1/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL916179 0.84 TSHR (0.56) TSHRSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL83447 0.84 TSHR (0.56) TSHRSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL2238431 0.84 TSHR (0.56) TSHRSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL8250970 0.82 TSHR (0.40) TSHRSLC6A2SLC6A4SLC6A3TAAR1
Methyl Alcohol SCHEMBL8767666 0.78 TSHR (0.50) TSHRSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL528466 0.78 TSHR (0.70) TSHRSLC6A2SLC6A4SLC6A3CYP2C19
SCHEMBL6924123 0.75 TSHR (0.41) TSHR
SCHEMBL529044 0.75 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3KDM1AMAOB
SCHEMBL17548454 0.71 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TAAR1KDM1A
SCHEMBL46155 0.71 TSHR (0.72) TSHR

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 TSHR 520/4885SLC6A2 4264/4885SLC6A4 2707/4885

“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.