SCHEMBL5855233

SCHEMBL5855233

COCOc1ccc2c(c1)SCC(C)(c1ccc(OC)cc1OC)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CA2 P00918 6/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
CA12 O43570 3/20 0.34
ROR1 Q01973 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
TDP2 O95551 1/20 0.32
CYP19A1 P11511 1/20 0.32
ALOX15 P16050 1/20 0.32
METAP1 P53582 1/20 0.32
FYN P06241 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
SCHEMBL5854449 0.82 KDM4E (0.36) KDM4EHTTMAOAMAOBALDH1A1
SCHEMBL7116082 0.75 KDM4E (0.50) KDM4EHTTMAOAMAOBALDH1A1
SCHEMBL7117419 0.75 KDM4E (0.50) KDM4EHTTMAOAMAOBALDH1A1
SCHEMBL5856000 0.75 KDM4E (0.50) KDM4EHTTMAOAMAOBALDH1A1
SCHEMBL5854545 0.75 KDM4E (0.45) KDM4EHTTMAOAMAOBALDH1A1
SCHEMBL7589596 0.73 KDM4E (0.48) KDM4EHTTMAOAMAOBALDH1A1
SCHEMBL5857384 0.71 KDM4E (0.46) KDM4EHTTMAOAMAOBALDH1A1
SCHEMBL5853940 0.69 KDM4E (0.43) KDM4EHTTMAOAMAOBALDH1A1
SCHEMBL7226822 0.65 KDM4E (0.47) KDM4EHTTMAOAMAOBALDH1A1
SCHEMBL7236031 0.64 KDM4E (0.45) KDM4EHTTMAOAMAOBALDH1A1

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 KDM4E 1900/4885HTT 3792/4885MAOA 4221/4885

“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.