SCHEMBL7074449

SCHEMBL7074449

C=CCCCCCCC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
USP2 O75604 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP3A4 P08684 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 6/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RECQL P46063 1/20 0.43
TSHR P16473 2/20 0.42
ABCC4 O15439 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CPB2 Q96IY4 1/20 0.39

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
SCHEMBL7224713 1.00 MAPT (0.49) MAPTALDH1A1USP2SMN1; SMN2CYP3A4
SCHEMBL9453302 1.00 MAPT (0.49) MAPTALDH1A1USP2SMN1; SMN2CYP3A4
SCHEMBL6067595 0.98 L3MBTL1 (0.47) MAPTALDH1A1USP2SMN1; SMN2CYP3A4
SCHEMBL2207325 0.93 L3MBTL1 (0.48) MAPTALDH1A1USP2SMN1; SMN2CYP3A4
SCHEMBL15445274 0.90 ALDH1A1 (0.47) MAPTALDH1A1USP2SMN1; SMN2CYP3A4
SCHEMBL8342328 0.86 TDP1 (0.44) MAPTALDH1A1USP2SMN1; SMN2CYP3A4
SCHEMBL2203256 0.85 L3MBTL1 (0.43) MAPTALDH1A1USP2SMN1; SMN2CYP3A4
Malonic Acid SCHEMBL6827749 0.85 TDP1 (0.44) MAPTALDH1A1USP2SMN1; SMN2CYP3A4
SCHEMBL21073906 0.84 TDP1 (0.55) MAPTALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL6901399 0.84 TDP1 (0.55) MAPTALDH1A1L3MBTL1MAPK1LMNA

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-20030092695-A1 Metal salts of 3-methyl-chromane or thiochromane derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-05-15 US disclosed
US-6552068-B1 Having anti-estrogenic activity; for use in therapy CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-22 US disclosed
EP-1241167-A1 3-ETHYL-, 3-PROPYL- OR 3-BUTYL-CHROMAN AND -THIOCHROMAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-09-18 EP 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-20030092695-A1 Metal salts of 3-methyl-chromane or thiochromane derivatives NR5A1, SHBG, ESR1 MAPT 1736/4885ALDH1A1 3711/4885USP2 3184/4885

“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.