SCHEMBL5353331

SCHEMBL5353331

O=COC1CCC(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.41
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
GABRR1 P24046 1/20 0.34
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 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
SCHEMBL15725229 0.88 BTK (0.39) ACEAKR1C3AKR1C1GABRR1LMNA
SCHEMBL10299221 0.88 BTK (0.39) ACEAKR1C3AKR1C1GABRR1LMNA
SCHEMBL19626326 0.87 LMNA (0.40) ACEAKR1C3AKR1C1PLGPLAT
SCHEMBL5360064 0.87 LMNA (0.40) ACEAKR1C3AKR1C1PLGPLAT
SCHEMBL22613896 0.85 CYP2C19 (0.33) ACEGABRR1GABRPGABRDGABRA1
SCHEMBL14829470 0.83
SCHEMBL18789349 0.83 TFPI2 (0.36) ACELMNATSHRPMP22
SCHEMBL10073556 0.83 ACE (0.35) ACEGABRR1GABRPGABRDGABRA1
SCHEMBL14944735 0.83 ACE (0.35) ACEGABRR1GABRPGABRDGABRA1
SCHEMBL12733071 0.82 PLG (0.36) ACEPLGPLATLMNAGABRP

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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2015-10-15 US disclosed
US-9029531-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-05-22 US disclosed
US-7202016-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2007-04-10 US disclosed
US-20050214680-A1 Radiation-sensitive resin composition MIYAJI MASAAKI 2005-09-29 US disclosed
US-6933094-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-08-23 US disclosed
US-20020058201-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-05-16 US disclosed
EP-1193558-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-04-03 EP 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-20150291576-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL ACE 158/4885AKR1C3 910/4885AKR1C1 573/4885
US-20140142081-A1 COMPOUNDS AND THEIR METHODS OF USE GLS, GLS2, GLUL ACE 481/4885AKR1C3 2004/4885AKR1C1 1364/4885

“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.