SCHEMBL5854590

SCHEMBL5854590

COc1ccc(C2(C)COc3cc(OC)ccc3C2CCCCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CYP24A1 Q07973 1/20 0.37
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
ABCB1 P08183 2/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
HTR1A P08908 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 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
SCHEMBL5854206 0.91 ESR1 (0.38) ESR1ESR2CYP24A1CA1CA9
SCHEMBL7586727 0.91 ESR1 (0.38) ESR1ESR2CYP24A1CA1CA9
SCHEMBL7589126 0.84 ESR1 (0.35) ESR1ESR2CYP24A1CA1CA9
SCHEMBL5856161 0.79 ESR1 (0.33) ESR1ESR2FFAR1PPARGPPARD
SCHEMBL5854267 0.78 ESR1 (0.34) ESR1ESR2FFAR1PPARGPPARD
SCHEMBL7589412 0.75 ABCB1 (0.34) ESR1ESR2ABCB1HTR1AHTR2B
SCHEMBL5854838 0.75 HTR1A (0.33) ESR1ESR2ABCB1HTR1AHTR2B
SCHEMBL10594963 0.75 ESR1 (0.38) ESR1ESR2CA1CA9PPARD
SCHEMBL5857359 0.75 PPARD (0.33) ESR1ESR2FFAR1PPARGPPARD
SCHEMBL6794452 0.74 ROR1 (0.32) ABCB1HTR1AHTR2BSIGMAR1ALDH1A1

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 5 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
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 ESR1 12/4885ESR2 3/4885CYP24A1 87/4885

“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.