SCHEMBL6773489

SCHEMBL6773489

CCc1ccccc1C1CC(=O)Oc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
MAPT P10636 8/20 0.50
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
HPGD P15428 4/20 0.50
USP2 O75604 1/20 0.50
THRB P10828 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
RECQL P46063 1/20 0.47
ALDH2 P05091 1/20 0.47
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL19212499 0.81 ALDH1A1 (0.72) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL9223130 0.77 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL12200287 0.77 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL12200316 0.77 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14852665 0.77 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL10247821 0.76 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8080906 0.73 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14047016 0.73 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL13236775 0.73 ALDH1A1 (0.53) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL27030625 0.72 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD

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-20040248987-A1 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. 2004-12-09 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-20040248987-A1 Smooth muscle spasmolytic agents MYLK, TNNC1, MYLK2 ALDH1A1 230/4885MAPT 1988/4885MEN1 2669/4885

“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.