SCHEMBL22185067

SCHEMBL22185067

CC(C)(C(=O)O)c1cccc(OC(=O)C(O)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ACHE P22303 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL11119110 0.77 ATM (0.58) ATML3MBTL1LMNACYP2D6CYP2C9
SCHEMBL5690338 0.77 ATM (0.58) ATML3MBTL1LMNACYP2D6CYP2C9
SCHEMBL2246434 0.77 ATM (0.58) ATML3MBTL1LMNACYP2D6CYP2C9
SCHEMBL3936634 0.76 AKR1C3 (0.51) L3MBTL1CYP4F2CYP4A11LMNACYP2D6
SCHEMBL27652140 0.76 MAPT (0.58) ATML3MBTL1LMNAMAPK1
SCHEMBL1356271 0.75 AKR1C3 (0.52) CYP4F2CYP4A11LMNAMAPK1
SCHEMBL11370912 0.74 ATM (0.41) ATMNR1H2NR1H3CYP4F2CYP4A11
SCHEMBL14166147 0.74 L3MBTL1 (0.42) ATML3MBTL1ACHELMNACYP2D6
SCHEMBL14166148 0.74 L3MBTL1 (0.42) ATML3MBTL1ACHELMNACYP2D6
SCHEMBL25567354 0.73 LMNA (0.49) ATML3MBTL1LMNAMAPK1

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-10974232-B2 Catalyst, method for forming amide bond, and method for producing amide compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2021-04-13 US disclosed
US-20200206724-A1 Catalyst, Method for Forming Amide Bond, and Method for Producing Amide Compound MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2020-07-02 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-20200206724-A1 Catalyst, Method for Forming Amide Bond, and Method for Producing Amide Compound ASNS, NAAA, PYM1 ATM 1295/4885L3MBTL1 3221/4885NR1H2 916/4885
US-10974232-B2 Catalyst, method for forming amide bond, and method for producing amide compound ASNS, NAAA, PYM1 ATM 1295/4885L3MBTL1 3221/4885NR1H2 916/4885

“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.