SCHEMBL5855604

SCHEMBL5855604

C=CCCCCCCC(C(=O)CCC(F)(F)C(F)(F)F)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
USP2 O75604 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
MAPK1 P28482 1/20 0.34
ABCC4 O15439 1/20 0.33
FAAH O00519 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.30
CPB2 Q96IY4 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL5854304 0.93 ALDH1A1 (0.42) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL15445274 0.84 ALDH1A1 (0.47) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5354590 0.83 CPB2 (0.40) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5352239 0.83 CPB2 (0.40) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7227146 0.82 CPB2 (0.40) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7227828 0.82 CPB2 (0.40) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL5353262 0.82 CPB2 (0.40) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7234586 0.82 CPB2 (0.40) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7227733 0.82 CPB2 (0.40) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7227018 0.82 CPB2 (0.40) MAPTUSP2ALDH1A1CYP3A4SMN1; SMN2

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 MAPT 4469/4885USP2 3439/4885ALDH1A1 453/4885

“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.