SCHEMBL5483192

SCHEMBL5483192

Cc1ccc(C(=O)C(C)(C)C)c(C(=O)O)c1C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
RXRA P19793 1/20 0.35
HAAO P46952 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NR1H4 Q96RI1 2/20 0.34
NOTUM Q6P988 2/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP3A4 P08684 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 1/20 0.32
GLRA3 O75311 1/20 0.32
GLRB P48167 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
MCL1 Q07820 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5476583 0.81 ALDH1A1 (0.48) L3MBTL1TDP1ALDH1A1NOTUMKDM4E
SCHEMBL605144 0.76 CYP1A2 (0.46) L3MBTL1TDP1HAAOALDH1A1NOTUM
SCHEMBL8879082 0.74 CYP1A2 (0.44) L3MBTL1TDP1HAAOALDH1A1NOTUM
SCHEMBL26054316 0.72 ALDH1A1 (0.41) RXRBL3MBTL1RXRAALDH1A1KDM4E
SCHEMBL8730751 0.72 GLRA3 (0.41) RXRBL3MBTL1TDP1ALDH1A1NR1H4
SCHEMBL3392120 0.72 TDP1 (0.48) L3MBTL1TDP1ALDH1A1NOTUMKDM4E
SCHEMBL13151930 0.71 L3MBTL1 (0.41) L3MBTL1TDP1ALDH1A1KDM4EHPGD
SCHEMBL28639961 0.71 HAAO (0.41) L3MBTL1TDP1HAAOALDH1A1NOTUM
SCHEMBL28007566 0.70 TSHR (0.46) RXRBTDP1RXRAALDH1A1NR1H4
SCHEMBL195882 0.70 CYP1A2 (0.44) L3MBTL1TDP1HAAOALDH1A1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293599-A1 Dental Cement Composition UM DENTAL CO., LTD. (JP) 2007-12-20 US disclosed
US-20060241206-A1 Dental adhesive and dental filler UM DENTAL CO., LTD. (JP) 2006-10-26 US disclosed
EP-1611875-A1 DENTAL ADHESIVE AND DENTAL FILLER Um Dental Co., Ltd. (JP) 2006-01-04 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-20060241206-A1 Dental adhesive and dental filler ICAM1, CDH1, CAD RXRB 707/4885L3MBTL1 1809/4885TDP1 2725/4885
US-20070293599-A1 Dental Cement Composition ASH2L, ARCN1, AP1M1 RXRB 2158/4885L3MBTL1 1123/4885TDP1 4008/4885

“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.