SCHEMBL2312923

SCHEMBL2312923

CCCCOC(=O)c1ccc(Br)c(OCCCC)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.68
CYP1A2 P05177 3/20 0.56
TSHR P16473 3/20 0.56
CYP2D6 P10635 2/20 0.56
LMNA P02545 2/20 0.56
CYP2C19 P33261 2/20 0.56
MAPK1 P28482 1/20 0.56
NR1H2 P55055 1/20 0.56
RNASEL Q05823 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SLC6A2 P23975 1/20 0.56
SCN1A P35498 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.56
HIF1A Q16665 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
RAD52 P43351 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL17485635 0.91 ESR1 (0.56) ESR1CYP1A2TSHRCYP2D6LMNA
SCHEMBL12603169 0.88 ESR1 (0.72) ESR1CYP1A2TSHRCYP2D6LMNA
SCHEMBL14930286 0.88 ESR1 (0.52) ESR1CYP1A2TSHRCYP2D6SLC6A2
SCHEMBL27771410 0.85 KDM4E (0.57) ESR1CYP1A2TSHRCYP2D6LMNA
SCHEMBL2499117 0.85 TP53 (0.58) TSHRHPGD
SCHEMBL6646079 0.84 ESR1 (0.69) ESR1CYP1A2TSHRCYP2D6LMNA
SCHEMBL13692580 0.84 ESR1 (0.59) ESR1CYP1A2TSHRCYP2D6LMNA
SCHEMBL3900304 0.83 ESR1 (0.48) ESR1CYP1A2TSHRCYP2D6LMNA
SCHEMBL2664854 0.83 ESR1 (0.65) ESR1CYP1A2TSHRCYP2D6LMNA
SCHEMBL9285808 0.82 MAPT (0.63) ESR1CYP1A2TSHRCYP2D6LMNA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748462-B2 Spirocyclic GPR40 modulators AMGEN INC. (US) 2014-06-10 US disclosed
US-8748462-B2 Spirocyclic GPR40 modulators AMGEN INC. (US) 2014-06-10 US disclosed
EP-2358656-B1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC (US) 2014-01-01 EP disclosed
EP-2358656-B1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC (US) 2014-01-01 EP disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
EP-2205548-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS Amgen, Inc (US) 2010-07-14 EP disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 WO disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 ESR1 173/4885CYP1A2 483/4885TSHR 740/4885

“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.