SCHEMBL3206858

SCHEMBL3206858

CCC(OC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
LAP3 P28838 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 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
SCHEMBL26940415 1.00 SMN1; SMN2 (0.40) SMN1; SMN2TP53CHRM1AKR1A1CHRM3
SCHEMBL444377 0.87 SMN1; SMN2 (0.48) SMN1; SMN2TP53CHRM1AKR1A1CHRM3
SCHEMBL26940421 0.83 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL18652807 0.83 SMN1; SMN2 (0.39) SMN1; SMN2TP53CHRM1AKR1A1CHRM3
SCHEMBL2232093 0.83 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11123607 0.81 SMN1; SMN2 (0.42) SMN1; SMN2TP53CHRM1AKR1A1CHRM3
SCHEMBL7552731 0.81 SMN1; SMN2 (0.38) SMN1; SMN2TP53CHRM1AKR1A1CHRM3
SCHEMBL12079906 0.81 CYP3A4 (0.34) SMN1; SMN2CA2TSHR
SCHEMBL7930890 0.81 SMN1; SMN2 (0.38) SMN1; SMN2TP53CHRM1AKR1A1CHRM3
SCHEMBL27343492 0.81 CHRM1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987076-B1 METHOD FOR FORMING AN ARTICLE HAVING A DECORATIVE SURFACE 3M INNOVATIVE PROPERTIES CO (US) 2010-10-13 EP claimed
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 US disclosed
US-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2023-05-25 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3898633-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
WO-2020127504-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
US-9919003-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-03-20 US disclosed
EP-3277671-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277670-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 US disclosed
US-8188222-B2 High molecular weight derivative of nucleic acid antimetabolite NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-29 US disclosed
US-20100029849-A1 HIGH MOLECULAR WEIGHT DERIVATIVE OF NUCLEIC ACID ANTIMETABOLITE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-02-04 US disclosed
CN-101501078-A Process for preparing a catalyst component for the polymerization of olefins BASELL POLIOLEFINE SRL (IT) 2009-08-05 CN disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
CN-1766733-A Phototonus resin composition, spacer for display panel and display panel JSR CORP (JP) 2006-05-03 CN disclosed
US-4413007-A INSECTICIDES, MITICIDES, NEMATOCIDES, OXIME AND BIS-(FLUOROCARBONYLAMINO) DISULFIDE REACTANTS UNION CARBIDE CORPORATION (US) 1983-11-01 US disclosed
US-4327110-A Pesticidal symmetrical N-substituted bis-carbamoyloximino disulfide compounds UNION CARBIDE CORPORATION (US) 1982-04-27 US disclosed
US-4024260-A INHIBITS H-2 HISTAMINE RECEPTORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 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 (4 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-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 SMN1; SMN2 147/4885TP53 2862/4885CHRM1 4032/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 SMN1; SMN2 147/4885TP53 2862/4885CHRM1 4032/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 SMN1; SMN2 1314/4885TP53 697/4885CHRM1 4813/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 SMN1; SMN2 3324/4885TP53 888/4885CHRM1 4875/4885

“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.