SCHEMBL5854532

SCHEMBL5854532

COC(=O)CCCCCCCC1c2ccc(OC)cc2SCC1(C)c1ccc(OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.35
PTGER4 P35408 2/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
PPARG P37231 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
NR2E3 Q9Y5X4 2/20 0.33
NCOR2 Q9Y618 2/20 0.33
DYRK1A Q13627 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NQO2 P16083 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5854536 0.91 PTGFR (0.38) PPARG
SCHEMBL5854254 0.91 PTGFR (0.38) PPARG
SCHEMBL7262813 0.87 TBXA2R (0.35) TBXA2RPTGER4PPARGTDP1NR2E3
SCHEMBL7258633 0.87 TBXA2R (0.35) TBXA2RPTGER4PPARGTDP1NR2E3
SCHEMBL5854635 0.87 TBXA2R (0.35) TBXA2RPTGER4PPARGTDP1NR2E3
SCHEMBL5855958 0.87 SIGMAR1 (0.34)
SCHEMBL5854703 0.87 SIGMAR1 (0.34)
SCHEMBL5854345 0.87 SIGMAR1 (0.34)
SCHEMBL5853638 0.86 PTGFR (0.35) PPARGEDNRBEDNRAMAPT
SCHEMBL7123993 0.85 MTNR1A (0.35) MTNR1AMTNR1BNQO2

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 3 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

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 TBXA2R 190/4885PTGER4 128/4885MTNR1A 585/4885

“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.