SCHEMBL9927430

SCHEMBL9927430

CC(C)(O)C1CCC(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
MPI P34949 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CES2 O00748 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL9559189 0.82 CA1 (0.44) CA1CA9CYP1A2LMNA
SCHEMBL2664154 0.82 CA1 (0.50) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL9607558 0.82 CA1 (0.50) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL9607559 0.82 CA1 (0.50) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL5258367 0.77 CA1 (0.38) CA1CA9CYP1A2
SCHEMBL25327380 0.76 CA1 (0.41) CA1CA9CYP1A2
SCHEMBL22972533 0.75 CA1 (0.43) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL3792494 0.75 CA1 (0.39) CA1CA9CYP1A2
SCHEMBL9436287 0.75 CA1 (0.39) CA1CA9CYP1A2
SCHEMBL12182879 0.73 CA1 (0.44) CA1CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541606-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-09-24 US disclosed
US-8541606-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2013-09-24 US disclosed
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 US disclosed
US-8105746-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2012-01-31 US disclosed
US-8105746-B2 Tertiary alcohol derivative, polymer compound and photoresist composition KURARAY CO., LTD. (JP) 2012-01-31 US disclosed
US-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2009-01-29 US disclosed
US-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2009-01-29 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 (2 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-20090029290-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 CA1 3162/4885CA9 3082/4885CYP1A2 34/4885
US-20120149921-A1 TERTIARY ALCOHOL DERIVATIVE, POLYMER COMPOUND AND PHOTORESIST COMPOSITION ADH1A, ADH1C, ADH5 CA1 2994/4885CA9 2581/4885CYP1A2 19/4885

“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.