SCHEMBL22337058

SCHEMBL22337058

CCCC(=O)Oc1ccc(C(C)(C)OO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
KMT2A Q03164 9/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.41
ESR1 P03372 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ELANE P08246 2/20 0.40
HIF1A Q16665 2/20 0.40
RECQL P46063 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL22334763 0.92 KMT2A (0.56) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL22334843 0.91 KMT2A (0.47) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL22334757 0.89 KMT2A (0.51) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL22334784 0.89 KMT2A (0.51) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL22334762 0.87 KMT2A (0.54) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL22334822 0.86 KMT2A (0.46) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL23343706 0.85 BCL9 (0.57) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL13621253 0.85 BCL9 (0.57) BCL9CTNNB1KMT2AALDH1A1MAPT
SCHEMBL22334837 0.83 ALDH1A1 (0.46) KMT2AALDH1A1MAPTLMNAHTT
SCHEMBL11023644 0.82 BCL9 (0.70) BCL9CTNNB1KMT2AALDH1A1MAPT

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-11357709-B2 Dental materials based on redox systems with low-odour cumene hydroperoxide derivatives IVOCLAR VIVADENT AG (LI) 2022-06-14 US 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

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 BCL9 2842/4885CTNNB1 2731/4885KMT2A 3656/4885
US-20200253837-A1 Dental Materials Based On Redox Systems With Low-Odour Cumene Hydroperoxide Derivatives GPX4, GPX1, AOX1 BCL9 2842/4885CTNNB1 2731/4885KMT2A 3656/4885

“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.