SCHEMBL1626229

SCHEMBL1626229

O=C(O)C1(c2ccc(C(F)(F)F)cc2)CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
TP53 P04637 1/20 0.49
AKR1C3 P42330 3/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48
THRB P10828 1/20 0.48
ALDH1A1 P00352 2/20 0.46
P2RX7 Q99572 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
MAP4K4 O95819 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL694972 0.88 APP (0.66) APPAKR1C3AKR1C2AKR1C1THRB
SCHEMBL16868072 0.85 APP (0.58) APPAKR1C3AKR1C2AKR1C1THRB
SCHEMBL1626570 0.82 AKR1C3 (0.56) APPTP53AKR1C3AKR1C2AKR1C1
SCHEMBL166581 0.81 APP (0.50) APPAKR1C1THRBALDH1A1MAP4K4
SCHEMBL23164032 0.80 KMT2A (0.49) APPALDH1A1MAP4K4LMNATSHR
SCHEMBL1627580 0.79 AKR1C1 (0.68) AKR1C1ALDH1A1LMNATSHRNPSR1
SCHEMBL23605577 0.78 APP (0.52) APPAKR1C3AKR1C2AKR1C1THRB
SCHEMBL16897539 0.78 LMNA (0.60) AKR1C1ALDH1A1MAP4K4LMNATSHR
SCHEMBL196949 0.78 POLB (0.56) TP53AKR1C1ALDH1A1MAP4K4LMNA
SCHEMBL22090138 0.78 HDAC1 (0.53) APPAKR1C1ALDH1A1MAP4K4LMNA

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-7928139-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2011-04-19 US disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
US-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2010-02-25 US disclosed
US-7635715-B2 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-12-22 US disclosed
EP-2111399-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen Inc. (US) 2009-10-28 EP disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 EP disclosed
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof AMGEN INC. (US) 2009-04-09 US disclosed
WO-2008076427-A2 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 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 (3 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-20100048572-A1 NAPHTHALENONE COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF EGLN2, EGLN3, HIF1AN APP 2779/4885TP53 2500/4885AKR1C3 382/4885
US-20090093483-A1 Naphthalenone compounds exhibiting prolyl hydroxylase inhibitory activity, compositions, and uses thereof EGLN2, EGLN3, HIF1AN APP 2779/4885TP53 2500/4885AKR1C3 382/4885
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE HRH2, HRH1, HRH4 APP 3471/4885TP53 4835/4885AKR1C3 102/4885

“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.