SCHEMBL507731

SCHEMBL507731

CCCC(=O)c1ccc(C)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B3 P37058 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TCF4 P15884 1/20 0.39
CTNNB1 P35222 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.38
FASN P49327 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7450427 0.83 HSP90AB1 (0.47) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL5309095 0.82 CTNNB1 (0.46) TSHRHPGDALDH1A1ALOX15RECQL
SCHEMBL11071972 0.81 TSHR (0.43) TSHRHPGDALDH1A1ALOX15RECQL
SCHEMBL9272419 0.76 ERCC5 (0.38) ALDH1A1HSD17B10TDP1MEN1KMT2A
SCHEMBL5568822 0.74 MEN1 (0.71) TSHRHPGDALDH1A1ALOX15RECQL
SCHEMBL5569924 0.74 MEN1 (0.51) TSHRHPGDALDH1A1ALOX15RECQL
SCHEMBL7786525 0.74 GAA (0.47) TSHRALDH1A1HSD17B10TDP1MEN1
SCHEMBL3346960 0.73 CTNNB1 (0.58) TSHRHPGDALDH1A1ALOX15RECQL
SCHEMBL8732527 0.73 TDP2 (0.36) TSHRHPGDALDH1A1TDP1MEN1
SCHEMBL14514161 0.73 TDP1 (0.37) HPGDALDH1A1HSD17B10TDP1MEN1

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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A TSHR 143/4885HPGD 3744/4885ALDH1A1 500/4885

“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.