SCHEMBL6414832

SCHEMBL6414832

COC(=O)C1C(C)C1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
KCNN4 O15554 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KIF11 P52732 1/20 0.36
SLC6A3 Q01959 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SLC6A1 P30531 1/20 0.34

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
SCHEMBL6410799 0.92 SLC6A11 (0.43) ALDH1A1MEN1CYP1A2KMT2ALMNA
SCHEMBL6481384 0.92 SLC6A11 (0.43) ALDH1A1MEN1CYP1A2KMT2ALMNA
SCHEMBL6415870 0.87 SLC6A1 (0.39) POLBKCNN4MEN1CYP2C19KMT2A
SCHEMBL6407666 0.86 SMN1; SMN2 (0.43) ALDH1A1MEN1CYP1A2KMT2ALMNA
SCHEMBL6409527 0.86 TSHR (0.40) POLBALDH1A1MEN1CYP1A2CYP2C19
SCHEMBL6407053 0.86 CYP2C19 (0.37) KCNN4MEN1CYP2C19KMT2AKIF11
SCHEMBL6406914 0.81 SLC6A11 (0.41) ALDH1A1MEN1CYP1A2KMT2AKIF11
SCHEMBL6406931 0.81 SLC6A11 (0.41) ALDH1A1MEN1CYP1A2KMT2ALMNA
SCHEMBL6408185 0.81 SLC6A11 (0.41) ALDH1A1MEN1CYP1A2KMT2ALMNA
SCHEMBL6406022 0.81 SLC6A11 (0.47) MEN1CYP1A2KMT2AKIF11TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids SUMITOMO CHEMICAL COMPAY LIMTED (JP) 2005-12-29 US disclosed
EP-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 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-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids GRHPR, PCCA, C5 POLB 905/4885KCNN4 3363/4885ALDH1A1 601/4885

“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.