SCHEMBL10248813

SCHEMBL10248813

COC(=O)CC1CC(CC(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
TSHR P16473 4/20 0.40
NR1H2 P55055 1/20 0.40
SLC6A12 P48065 5/20 0.37
SLC6A11 P48066 5/20 0.37
SLC6A13 Q9NSD5 5/20 0.37
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36

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
SCHEMBL19880952 0.88 BRD4 (0.37) BRD4TSHRNR1H2ALDH1A1POLB
SCHEMBL1189281 0.87 BRD4 (0.44) BRD4TSHRNR1H2SLC6A12SLC6A11
SCHEMBL7217097 0.83 BRD4 (0.42) BRD4SLC6A12SLC6A11SLC6A13SLC6A1
SCHEMBL1969174 0.83 BRD4 (0.44) BRD4TSHRNR1H2ALDH1A1MAPT
SCHEMBL22526606 0.83 BRD4 (0.44) BRD4TSHRNR1H2MAPTHSD17B10
SCHEMBL338176 0.83 BRD4 (0.44) BRD4TSHRNR1H2MAPTHSD17B10
SCHEMBL17891872 0.83 BRD4 (0.44) BRD4TSHRNR1H2MAPTHSD17B10
SCHEMBL1966116 0.83 BRD4 (0.44) BRD4TSHRNR1H2MAPTHSD17B10
SCHEMBL337633 0.83 BRD4 (0.44) BRD4TSHRNR1H2ALDH1A1MAPT
SCHEMBL25010679 0.81 BRD4 (0.43) BRD4TSHRNR1H2GABRR1MAPT

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
US-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2015-12-24 US disclosed
US-9096634-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2015-08-04 US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 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 (3 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-20150366893-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 BRD4 804/4885TSHR 4489/4885NR1H2 3562/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 BRD4 804/4885TSHR 4489/4885NR1H2 3562/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 BRD4 804/4885TSHR 4489/4885NR1H2 3562/4885

“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.