SCHEMBL22334759

SCHEMBL22334759

CCCCCC(=O)OCc1ccc(C(C)(C)OO)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
P2RX7 Q99572 1/20 0.40
ELANE P08246 5/20 0.40
PAM P19021 2/20 0.40
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 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
SCHEMBL22334811 0.91 ALDH1A1 (0.42) ALOX15MEN1ALDH1A1KMT2AMAPT
SCHEMBL22334786 0.88 ALDH1A1 (0.44) ALOX15MEN1ALDH1A1KMT2AMAPT
SCHEMBL4220388 0.86 HDAC3 (0.49) DGKAELANEPAMMEN1ALDH1A1
SCHEMBL4210162 0.86 HDAC3 (0.49) DGKAELANEPAMMEN1ALDH1A1
SCHEMBL4212739 0.86 HDAC3 (0.49) DGKAELANEPAMMEN1ALDH1A1
SCHEMBL4207148 0.86 HDAC3 (0.49) DGKAELANEPAMMEN1ALDH1A1
SCHEMBL4216103 0.86 HDAC3 (0.49) DGKAELANEPAMMEN1ALDH1A1
SCHEMBL4213343 0.86 HDAC3 (0.49) DGKAELANEPAMMEN1ALDH1A1
SCHEMBL22337056 0.84 ALDH1A1 (0.43) ALOX15MEN1ALDH1A1KMT2AMAPT
SCHEMBL3814877 0.83 DGKA (0.60) DGKAP2RX7ELANEPAMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039220-B1 DENTAL MATERIALS ON THE BASIS OF POLYMERISABLE THIOUREA DERIVATIVES IVOCLAR VIVADENT AG (LI) 2022-12-28 EP disclosed
US-11357709-B2 Dental materials based on redox systems with low-odour cumene hydroperoxide derivatives IVOCLAR VIVADENT AG (LI) 2022-06-14 US disclosed
EP-3692976-B1 DENTAL MATERIALS BASED ON REDOX SYSTEMS WITH LOW ODOR CUMENE HYDROPEROXIDE DERIVATIVES IVOCLAR VIVADENT AG (LI) 2021-03-31 EP disclosed
US-20200253837-A1 Dental Materials Based On Redox Systems With Low-Odour Cumene Hydroperoxide Derivatives IVOCLAR VIVADENT AG (LI) 2020-08-13 US disclosed
EP-3692976-A1 DENTAL MATERIALS BASED ON REDOX SYSTEMS WITH LOW ODOR CUMOLHYDE-HYDROPEROXIDE DERIVATIVES Ivoclar Vivadent AG (LI) 2020-08-12 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 (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-11357709-B2 Dental materials based on redox systems with low-odour cumene hydroperoxide derivatives GPX4, GPX1, AOX1 DGKA 2025/4885P2RX7 1742/4885ELANE 3222/4885
US-20200253837-A1 Dental Materials Based On Redox Systems With Low-Odour Cumene Hydroperoxide Derivatives GPX4, GPX1, AOX1 DGKA 2025/4885P2RX7 1742/4885ELANE 3222/4885

“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.