SCHEMBL3183880

SCHEMBL3183880

CC(C)(C)C(=O)C(=Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TRPA1 O75762 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ PTGS2 P35354 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ IKBKB O14920 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ IKBKG Q9Y6K9 1/20 0.40

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
SCHEMBL3195401 0.84 MEN1 (0.51) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL3923058 0.83 TP53 (0.61) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL3990611 0.80 ALDH1A1 (0.56) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL3990606 0.80 ALDH1A1 (0.56) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL10517838 0.80 ALDH1A1 (0.56) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL16225273 0.79 TRPA1 (0.47) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL3401718 0.79 TRPA1 (0.60) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL16225272 0.79 TRPA1 (0.47) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL3401721 0.79 TRPA1 (0.60) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL2647713 0.76 MEN1 (0.49) MEN1KMT2ALMNACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659281-B2 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 — — US disclosed
US-7420059-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 — — US disclosed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 — — US disclosed
EP-1684754-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD Bristol-Myers Squibb Company (US) 2006-08-02 — — EP disclosed
US-20050171140-A1 Prevent cholesterol biosynthesis; moderating blood serum lipid ; antidiabetic agents; obesity; hypotensive agents; osteoporosis; Alzheimer's disease; cardiovascular disorders; hormone replacement therapy BRISTOL-MYERS SQUIBB COMPANY 2005-08-04 — — US disclosed
WO-2005051386-A1 HMG-COA REDUCTASE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-09 — — WO 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-20070249583-A1 HMG-CoA reductase inhibitors HMGCR, LDLR, PCSK9 MEN1 1197/4885KMT2A 1902/4885LMNA 506/4885
US-20050171140-A1 Prevent cholesterol biosynthesis; moderating blood serum lipid ; antidiabetic agents; obesity; hypotensive agents; osteoporosis; Alzheimer's disease; cardiovascular disorders; hormone replacement therapy HMGCR, LDLR, APOB MEN1 1093/4885KMT2A 1390/4885LMNA 1761/4885

“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.

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