SCHEMBL5856733

SCHEMBL5856733

C=CCCCCCC(=O)CC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.59
GAA P10253 2/20 0.49
MAPT P10636 3/20 0.47
ABCC4 O15439 1/20 0.47
TSHR P16473 3/20 0.46
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
USP2 O75604 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
FAAH O00519 3/20 0.41
KMT2A Q03164 1/20 0.39
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL4344625 1.00 ALDH1A1 (0.59) ALDH1A1LMNAGAAMAPTABCC4
SCHEMBL4415244 0.88 ALDH1A1 (0.61) ALDH1A1LMNAGAAMAPTABCC4
SCHEMBL8429929 0.86 ALDH1A1 (0.67) ALDH1A1LMNAGAAMAPTABCC4
SCHEMBL514850 0.86 ALDH1A1 (0.67) ALDH1A1LMNAGAAMAPTABCC4
SCHEMBL27637046 0.86 ALDH1A1 (0.67) ALDH1A1LMNAGAAMAPTABCC4
SCHEMBL514798 0.86 ALDH1A1 (0.67) ALDH1A1LMNAGAAMAPTABCC4
SCHEMBL9571592 0.86 ALDH1A1 (0.67) ALDH1A1LMNAGAAMAPTABCC4
SCHEMBL817977 0.86 ALDH1A1 (0.67) ALDH1A1LMNAGAAMAPTABCC4
SCHEMBL1006866 0.86 ALDH1A1 (0.67) ALDH1A1LMNAGAAMAPTABCC4
SCHEMBL53665 0.86 ALDH1A1 (0.67) ALDH1A1LMNAGAAMAPTABCC4

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 ALDH1A1 453/4885LMNA 4777/4885GAA 2264/4885

“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.