SCHEMBL4911089

SCHEMBL4911089

CC(C)COC(=O)C[C]=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.37
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 2/20 0.32
RAB9A P51151 1/20 0.32
P2RX4 Q99571 1/20 0.32
DUSP3 P51452 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
SCHEMBL27101910 0.82 TSHR (0.43) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL2530416 0.80 TSHR (0.42) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL3364155 0.78 TSHR (0.44) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL243431 0.75 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL334176 0.75 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL1456508 0.74 TSHR (0.45) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL2554577 0.74 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL18087555 0.74 TSHR (0.45) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL4763305 0.74 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1MAPT
SCHEMBL2912157 0.74 TSHR (0.37) TSHRTDP1L3MBTL1ALDH1A1MAPT

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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 TSHR 1671/4885TDP1 4388/4885L3MBTL1 4776/4885

“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.