SCHEMBL809527

SCHEMBL809527

CCC[C@@H](C=O)[C@H](C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
ADAM17 P78536 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CPA1 P15085 3/20 0.35
CNR1 P21554 5/20 0.35
CNR2 P34972 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 1/20 0.34
GSR P00390 1/20 0.33
AOC3 Q16853 1/20 0.33
GAA P10253 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
SCHEMBL812559 1.00 NPC1 (0.40) NPC1ADAM17MEN1KMT2APOLB
SCHEMBL809500 1.00 NPC1 (0.40) NPC1ADAM17MEN1KMT2APOLB
SCHEMBL809613 0.92 NPC1 (0.38) NPC1ADAM17MEN1KMT2APOLB
SCHEMBL809536 0.92 NPC1 (0.38) NPC1ADAM17MEN1KMT2APOLB
SCHEMBL813370 0.92 NPC1 (0.38) NPC1ADAM17MEN1KMT2APOLB
SCHEMBL809513 0.90 NPC1 (0.38) NPC1ADAM17MEN1KMT2APOLB
SCHEMBL813292 0.90 NPC1 (0.38) NPC1ADAM17MEN1KMT2APOLB
SCHEMBL809543 0.90 NPC1 (0.38) NPC1ADAM17MEN1KMT2APOLB
SCHEMBL1319157 0.88 NPC1 (0.42) NPC1ADAM17MEN1KMT2APOLB
SCHEMBL27204463 0.88 NPC1 (0.42) NPC1ADAM17MEN1KMT2APOLB

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-20240076263-A1 METHOD FOR PREPARING CHIRAL NITRO DERIVATIVES USING ORGANIC CHIRAL CATALYST COMPOUNDS AND ECO-FRIENDLY SOLVENTS KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION, (KR) 2024-03-07 US disclosed
CN-104558007-A Chiral diaryl prolinol ether thiourea organic micromolecular catalyst, and synthetic method and application thereof UNIV SHAANXI NORMAL 2015-04-29 CN disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 NPC1 902/4885ADAM17 4740/4885MEN1 682/4885
US-20240076263-A1 METHOD FOR PREPARING CHIRAL NITRO DERIVATIVES USING ORGANIC CHIRAL CATALYST COMPOUNDS AND ECO-FRIENDLY SOLVENTS PNMT, TNNC1, IDO1 NPC1 2436/4885ADAM17 3402/4885MEN1 2591/4885

“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.