SCHEMBL7091384

SCHEMBL7091384

CC(C)(C)OC(=O)C(C)(C)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
AKT1 P31749 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL28134677 0.85 PTPN1 (0.50) MMP8CA12CA1CA7CA14
SCHEMBL28841486 0.85 MMP8 (0.54) MMP8CA12CA1CA7CA14
SCHEMBL6777966 0.85 FFAR1 (0.50) CA12CA1CA7CA14HIF1A
SCHEMBL25262349 0.84 CA2 (0.44) ALDH1A1LMNA
SCHEMBL28879399 0.84 MMP8 (0.45) MMP8CA12CA1CA7CA14
SCHEMBL6054543 0.84 MMP8 (0.45) MMP8CA12CA1CA7CA14
SCHEMBL28308777 0.83 MMP8 (0.47) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL293540 0.83 MMP8 (0.51) MMP8SMN1; SMN2HIF1ASLC6A2TAAR1
SCHEMBL7882532 0.82 MMP8 (0.44) MMP8CA12CA1CA7CA14
SCHEMBL5144292 0.82 MMP8 (0.51) MMP8CA12CA1CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227477-A1 COMPOUNDS FOR SENSING REACTIVE OXYGEN SPECIES AND METHODS FOR USING THE SAME UNIV WAKE FOREST HEALTH SCIENCES (US) 2023-07-20 US disclosed
US-20230227477-A1 COMPOUNDS FOR SENSING REACTIVE OXYGEN SPECIES AND METHODS FOR USING THE SAME UNIV WAKE FOREST HEALTH SCIENCES (US) 2023-07-20 US disclosed
WO-2021262998-A1 COMPOUNDS FOR SENSING REACTIVE OXYGEN SPECIES AND METHODS FOR USING THE SAME WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2021-12-30 WO disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 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-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG MMP8 2601/4885CA12 4472/4885CA1 3791/4885
US-20230227477-A1 COMPOUNDS FOR SENSING REACTIVE OXYGEN SPECIES AND METHODS FOR USING THE SAME ROS1, GPX4, NOX4 MMP8 1642/4885CA12 314/4885CA1 330/4885

“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.