SCHEMBL5673265

SCHEMBL5673265

CC(C)(C)C(=O)Cc1cccc(CC(=O)C(C)(C)C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
HSD11B1 P28845 1/20 0.42
BID P55957 4/20 0.40
MCL1 Q07820 4/20 0.40
BCL2L1 Q07817 3/20 0.40
BAK1 Q16611 3/20 0.40
KAT8 Q9H7Z6 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
FOLH1 Q04609 2/20 0.40
PPARA Q07869 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL18751691 0.83 HSD11B1 (0.47) HSD11B1GABRA1GABRB2KMT2AAKR1B1
SCHEMBL28769094 0.79 DUSP3 (0.50) DUSP3PTPN5PTPN11CTDSP1BID
SCHEMBL423306 0.76 GABRA1 (0.54) DUSP3PTPN5PTPN11CTDSP1BID
SCHEMBL13543165 0.76 CTBP2 (0.51) HSD11B1KMT2A
SCHEMBL10419287 0.76 AKR1B1 (0.61) HSD11B1CA12CA2GABRA1GABRB2
SCHEMBL7943361 0.76 RIPK1 (0.50) GABRA1GABRB2
SCHEMBL8226847 0.76 TDP1 (0.62) KMT2ATDP1L3MBTL1
SCHEMBL8677292 0.74 RIPK1 (0.49) HSD11B1
SCHEMBL8446184 0.74 ALDH1A1 (0.50) SAE1KMT2A
SCHEMBL19224348 0.74 ALDH1A1 (0.42) HSD11B1CA2TDP1AKR1B1

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-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 (1 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 DUSP3 4816/4885PTPN5 4851/4885PTPN11 4801/4885

“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.