SCHEMBL7682227

SCHEMBL7682227

CCOC(=O)C(CC)(C(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.40
PIN1 Q13526 1/20 0.40
ALDH1A1 P00352 4/20 0.39
RECQL P46063 1/20 0.39
MMP8 P22894 1/20 0.39
KIF11 P52732 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
MAPT P10636 4/20 0.37
THRB P10828 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
LMNA P02545 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL5530169 0.77 PIN1 (0.44) KCNN4PIN1ALDH1A1RECQLMMP8
SCHEMBL1477878 0.73 POLB (0.46) PIN1ALDH1A1RECQLMMP8POLB
SCHEMBL30603802 0.73 PIN1 (0.45) PIN1ALDH1A1RECQLMMP8POLB
SCHEMBL18113457 0.73 PIN1 (0.45) PIN1ALDH1A1RECQLMMP8POLB
SCHEMBL31355016 0.72 PIN1 (0.47) KCNN4PIN1ALDH1A1RECQLMMP8
SCHEMBL6904757 0.72 POLB (0.44) KCNN4PIN1ALDH1A1RECQLMMP8
SCHEMBL7682222 0.71 KCNN4 (0.45) KCNN4PIN1ALDH1A1MMP8KIF11
SCHEMBL28110871 0.70 NPC1 (0.40) KCNN4PIN1ALDH1A1RECQLMMP8
SCHEMBL7646732 0.69 PIN1 (0.54) KCNN4PIN1ALDH1A1RECQLMMP8
SCHEMBL2822944 0.68 PIN1 (0.50) KCNN4PIN1ALDH1A1RECQLMMP8

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-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease BRUGNARA CARLO (US) 2002-08-29 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-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO KCNN4 18/4885PIN1 1004/4885ALDH1A1 4414/4885

“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.