SCHEMBL5856076

SCHEMBL5856076

COc1ccc(C2(C)COc3cc(OC)ccc3C2SCCCCCCCCCSCCCN(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
POLB P06746 1/20 0.32
EDNRA P25101 2/20 0.32
ABCB1 P08183 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KCNH2 Q12809 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
SCHEMBL7593620 0.90 HTR2B (0.38) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL5857401 0.85 HTR2B (0.33) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL5856123 0.85 TMEM97 (0.38) HTR2BSIGMAR1TMEM97ALDH1A1
SCHEMBL5854576 0.81 L3MBTL1 (0.34) HTR2BSIGMAR1HTR1AABCB1
SCHEMBL5854274 0.81 L3MBTL1 (0.34) HTR2BSIGMAR1HTR1AABCB1
SCHEMBL7589412 0.81 ABCB1 (0.34) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL5855688 0.78 HTR2B (0.33) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL7119227 0.76 HTR2B (0.38) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL7122199 0.76 HTR2B (0.38) HTR2BSIGMAR1HTR1AHTR7TMEM97
SCHEMBL5854210 0.76 CTNNB1 (0.31)

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 2 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

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 HTR2B 2643/4885SIGMAR1 223/4885HTR1A 1060/4885

“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.