SCHEMBL3557799

SCHEMBL3557799

CC1(C)CCC(=O)c2cc(CBr)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
CYP26A1 O43174 5/20 0.37
CYP26B1 Q9NR63 5/20 0.37
TP53 P04637 2/20 0.32
CYP1A2 P05177 1/20 0.32
RARA P10276 2/20 0.32
PPARG P37231 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CES2 O00748 1/20 0.32
APAF1 O14727 1/20 0.32
TERT O14746 1/20 0.32
EED O75530 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
AKR1B1 P15121 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
SCHEMBL15716839 0.82 RXRA (0.37) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL445935 0.79 MALT1 (0.41) MEN1CES1KMT2ATDP1L3MBTL1
SCHEMBL30279114 0.79 MALT1 (0.41) MEN1CES1KMT2ATDP1L3MBTL1
SCHEMBL8565764 0.77 RARA (0.39) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL6992256 0.77 ALDH1A1 (0.42) TP53CYP1A2PPARGKDM4EMEN1
SCHEMBL6280497 0.76 PPARG (0.41) PPARGMAPTKMT2A
SCHEMBL8662092 0.76 PBRM1 (0.53) KDM4EALDH1A1LMNAMAPTESR1
SCHEMBL15716876 0.76 MALT1 (0.41) RXRACYP1A2RARAALDH1A1POLB
SCHEMBL6240700 0.76 HSD17B10 (0.44) RXRARXRBRXRGTP53PPARG
SCHEMBL8662369 0.76 TDP2 (0.40) RXRARXRBRXRGTP53CYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 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 (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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 RXRA 311/4885RXRB 329/4885RXRG 222/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC RXRA 150/4885RXRB 211/4885RXRG 131/4885

“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.