SCHEMBL11996073

SCHEMBL11996073

CCOC(=O)C1(C)COCC(CC)(C(=O)OCC)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
BRD4 O60885 1/20 0.35
RECQL P46063 1/20 0.33
ALDH1A1 P00352 4/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL11996078 0.92 ATM (0.34) ATMTSHRPOLBBRD4RECQL
SCHEMBL3472392 0.86 ATM (0.42) ATMTSHRPOLBRECQLALDH1A1
SCHEMBL1538030 0.84 ATM (0.43) ATMTSHRPOLBBRD4RECQL
Water SCHEMBL1537978 0.82 ATM (0.42) ATMTSHRPOLBBRD4RECQL
SCHEMBL11964818 0.81 CYP4F2 (0.33)
SCHEMBL14086684 0.78 USP2 (0.33)
SCHEMBL25299400 0.77 ATM (0.39) ATMTSHRPOLBBRD4RECQL
SCHEMBL19088338 0.77 ATM (0.41) ATMTSHRPOLBBRD4RECQL
SCHEMBL18372454 0.76
SCHEMBL31463769 0.76 TSHR (0.41) ATMTSHRPOLBRECQLALDH1A1

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-9999576-B2 Dental composition DENTSPLY DETREY GMBH (DE) 2018-06-19 US disclosed
US-20170252271-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2017-09-07 US disclosed
US-9682019-B2 Dental composition Dentsply DeTry GmbH (DE) 2017-06-20 US disclosed
US-20120214900-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2012-08-23 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-20170252271-A1 DENTAL COMPOSITION COG1, PICALM, TUBGCP3 ATM 3121/4885TSHR 4690/4885POLB 264/4885
US-20120214900-A1 DENTAL COMPOSITION PICALM, COIL, COG1 ATM 3136/4885TSHR 2527/4885POLB 213/4885

“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.