SCHEMBL5608271

SCHEMBL5608271

O=C(O)C12CC3CC(C1)CC([N+](=O)[O-])(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.34
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
RBP4 P02753 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD11B1 P28845 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31

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
SCHEMBL7450742 0.84 THRB (0.36) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL5607482 0.84 PKM (0.33) PKML3MBTL1ALDH1A1
SCHEMBL5608209 0.84 PKM (0.33) PKML3MBTL1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5608457 0.80 CRHBP (0.39) PKML3MBTL1ALDH1A1LMNAPOLB
SCHEMBL6058464 0.80 NPSR1 (0.39) ALDH1A1LMNATHRB
SCHEMBL6058382 0.80 MEN1 (0.48) ALDH1A1GAASMN1; SMN2LMNAKMT2A
SCHEMBL13589980 0.78 L3MBTL1 (0.58) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL14493665 0.78 L3MBTL1 (0.58) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL164232 0.78 L3MBTL1 (0.58) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL5608385 0.77 HSD11B1 (0.32) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39744-E1 Adamantane derivatives and process for producing them DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-07-24 US disclosed
EP-0897747-B1 NITRATION OR CARBOXYLATION CATALYSTS DAICEL CHEM (JP) 2006-04-05 EP disclosed
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 US disclosed
EP-1574495-A1 Adamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
EP-1574494-A1 Adamantane derivative Daicel Chemical Industries, Ltd. (JP) 2005-09-14 EP disclosed
EP-0915077-B1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAICEL CHEM (JP) 2004-11-17 EP disclosed
US-6468487-B1 SUCH AS N-HYDROXYPHTHALIMIDE; DIRECTLY AND EFFICIENTLY REACTING ADAMANTANE WITH NITROGEN OXIDE OR WITH CARBON MONOXIDE AND OXYGEN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-22 US disclosed
US-6392104-B1 CHEMICAL INTERMEDIATES FOR DRUGS, AGRICULTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
US-6235851-B1 ESTERIFICATION OR AMIDATION REACTION OF AN ADAMANTANE DERIVATIVE; GROUP 3A METAL CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0927711-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THEM Daicel Chemical Industries, Ltd. (JP) 1999-07-07 EP disclosed
EP-0915077-A1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 1999-05-12 EP disclosed
EP-0897747-A1 NITRATION OR CARBOXYLATION CATALYSTS Daicel Chemical Industries, Ltd. (JP) 1999-02-24 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 (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-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 PKM 1175/4885L3MBTL1 2106/4885ALDH1A1 1528/4885

“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.