SCHEMBL7125036

SCHEMBL7125036

CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)(O)C(O)(O)C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 2/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53
GPBAR1 Q8TDU6 5/20 0.51
HSD17B10 Q99714 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
AKR1B10 O60218 2/20 0.51
AKR1B1 P15121 2/20 0.51
EPHA2 P29317 2/20 0.51
LMNA P02545 2/20 0.51
EFNA1 P20827 1/20 0.51
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CASP7 P55210 3/20 0.50

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
SCHEMBL1492258 1.00 GRIN2A (0.53) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL1492160 0.88 CYP2D6 (0.64) GRIN2AGRIN1GRIN2BLMNAMEN1
SCHEMBL3130514 0.88 TDP1 (0.55) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL1492084 0.86 GPBAR1 (0.70) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL1492108 0.86 GPBAR1 (0.70) GPBAR1HSD17B10TDP1AKR1B10AKR1B1
SCHEMBL19506280 0.86 GRIN2A (0.70) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL1358415 0.86 GRIN2A (0.59) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL19506485 0.86 GRIN2A (0.70) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL1492107 0.85 OSBP (0.52) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10
SCHEMBL6064406 0.84 GPBAR1 (0.53) GRIN2AGRIN1GRIN2BGPBAR1HSD17B10

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-6660720-B2 Targeted oligonucleotide conjugates ISIS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-6660741-B2 Coupling an O-protected methoxypyrrolidine or derivatives with N-protected amino acid 2,5-dioxo-pyrrolidinyl ester to form intermediate, deportecting with trifluoroacetic acid to form pyrrolidine-1-carbonyl-2-methylamine or derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-12-09 US disclosed
US-20030130220-A1 Targeted oligonucleotide conjugates IONIS PHARMACEUTICALS, INC. 2003-07-10 US disclosed
US-6525031-B2 Complexes carry primary moieties, chiefly therapeutic, to target cells; feature cell surface receptor ligands to provide specificity; ligands are preferably bound to primary moieties through polyfunctional manifold compounds. ISIS PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20020198156-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2002-12-26 US disclosed
US-20020058639-A1 Targeted oligonucleotide conjugates ISIS PHARMACEUTICALS, INC. 2002-05-16 US disclosed
US-6300319-B1 COMPLEX WITH MODULATION OF CELLS SURFACE RECEPTOR LIGANDS ISIS PHARMACEUTICALS, INC. 2001-10-09 US disclosed
WO-1999065925-A1 TARGETED OLIGONUCLEOTIDE CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1999-12-23 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-20020198156-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor HASPIN, CYTH2, ACTR3 GRIN2A 4738/4885GRIN1 4305/4885GRIN2B 4655/4885
US-20030130220-A1 Targeted oligonucleotide conjugates CD47, CD44, FOLR1 GRIN2A 2667/4885GRIN1 3209/4885GRIN2B 3190/4885
US-20020058639-A1 Targeted oligonucleotide conjugates CD47, CD44, FOLR1 GRIN2A 2667/4885GRIN1 3209/4885GRIN2B 3190/4885

“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.