SCHEMBL2495822

SCHEMBL2495822

COC(=O)C[C@H](CC1CC1)c1cc(O)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HSP90AB1 P08238 1/20 0.35
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CTSL P07711 1/20 0.33
P2RX7 Q99572 4/20 0.32
FFAR1 O14842 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
KLK7 P49862 1/20 0.31
HCAR1 Q9BXC0 1/20 0.30
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL2503177 1.00 ALDH1A1 (0.35) ALDH1A1MAPTHTTHSP90AB1OPRD1
SCHEMBL3659553 0.84 HCAR1 (0.37) CTSLP2RX7FFAR1HCAR1GRN
SCHEMBL3653714 0.84 HCAR1 (0.37) CTSLP2RX7FFAR1HCAR1GRN
SCHEMBL27830810 0.82 HSP90AB1 (0.39) ALDH1A1MAPTHTTHSP90AB1FFAR1
SCHEMBL2503338 0.82 HSP90AB1 (0.39) ALDH1A1MAPTHTTHSP90AB1FFAR1
SCHEMBL2503224 0.82 HSP90AB1 (0.39) ALDH1A1MAPTHTTHSP90AB1FFAR1
SCHEMBL2499334 0.80 FFAR1 (0.42) FFAR1
SCHEMBL2505230 0.80 FFAR1 (0.42) FFAR1
SCHEMBL10154308 0.75 ITGB3 (0.41) OPRD1F2F10
SCHEMBL12194079 0.74 FFAR1 (0.43) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 ALDH1A1 1149/4885MAPT 4550/4885HTT 3142/4885

“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.