SCHEMBL5853841

SCHEMBL5853841

Brc1ccccc1C1COCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
KDM1A O60341 3/20 0.40
SLC6A2 P23975 2/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
TSHR P16473 1/20 0.34
RCOR1 Q9UKL0 1/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2A13 Q16696 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
MAP1LC3B Q9GZQ8 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
SCHEMBL10300817 0.86 HTR2C (0.47) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL30036946 0.86 HTR2C (0.47) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL7440746 0.86 HTR2C (0.47) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL2177894 0.83 HTR2C (0.40) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL31545950 0.78 HTR2C (0.36) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL28338939 0.77 TAAR1 (0.45) HTR2CHTR2BHTR2ATSHRCYP2A13
SCHEMBL30360438 0.74 SLC6A4 (0.46) KDM1ASLC6A2SLC6A4SLC6A3NPC1
SCHEMBL4750478 0.74 HTR2C (0.42) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL23380370 0.71 HTR2C (0.46) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL528466 0.71 TSHR (0.70) SLC6A2SLC6A4SLC6A3TSHRMEN1

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 HTR2C 1530/4885HTR2B 2643/4885KDM1A 1681/4885

“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.