SCHEMBL7074447

SCHEMBL7074447

C=CCCCCC(C)C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 5/20 0.43
USP2 O75604 3/20 0.43
CYP3A4 P08684 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.39
RECQL P46063 1/20 0.38
TSHR P16473 3/20 0.35
ABCC4 O15439 1/20 0.35
CPB2 Q96IY4 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL3113134 0.83 MAPT (0.45) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL3123704 0.81 MAPT (0.48) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL6067595 0.81 L3MBTL1 (0.47) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL9331429 0.81 FAAH (0.53) MAPTUSP2CYP3A4LMNARECQL
SCHEMBL28046958 0.80 CA1 (0.44) MAPTCPB2
SCHEMBL7074449 0.79 MAPT (0.49) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL9453302 0.79 MAPT (0.49) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL7224713 0.79 MAPT (0.49) ALDH1A1MAPTUSP2CYP3A4SMN1; SMN2
SCHEMBL7510923 0.79 ZDHHC7 (0.46) MAPTCPB2
SCHEMBL7510756 0.79 ZDHHC7 (0.46) MAPTCPB2

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 1 patent. 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

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 ALDH1A1 3711/4885MAPT 1736/4885USP2 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.