SCHEMBL3553425

SCHEMBL3553425

COC1CCc2cc(C(=O)OCc3ccccc3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SRD5A1 P18405 1/20 0.46
SRD5A2 P31213 1/20 0.46
RAB9A P51151 6/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CYP2B6 P20813 1/20 0.42
FAAH O00519 2/20 0.42

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
SCHEMBL3553593 0.87 LMNA (0.46) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL8536091 0.84 LMNA (0.50) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL13350378 0.80 ESR1 (0.47) LMNAKMT2ARAB9AMAPTALDH1A1
SCHEMBL8533556 0.79 TAOK3 (0.45) TDP1ALDH1A1CYP3A4L3MBTL1
SCHEMBL8764265 0.78 MCHR1 (0.43) KMT2ATDP1MAPTALDH1A1HPGD
SCHEMBL26809636 0.78 TDP1 (0.54) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL9170295 0.77 HRH3 (0.58) FAAH
SCHEMBL15841487 0.76 BRD4 (0.51) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL22801022 0.75 KMT2A (0.54) LMNAKMT2ATDP1SLC6A2SLC6A3
SCHEMBL16585774 0.74 LMNA (0.47) LMNAKMT2ATDP1SLC6A2SLC6A3

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 8 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-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
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP 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 LMNA 2113/4885KMT2A 1619/4885TDP1 3630/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC LMNA 693/4885KMT2A 1240/4885TDP1 3484/4885

“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.