SCHEMBL807415

SCHEMBL807415

COCOC(=O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
MAPK1 P28482 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
PAM P19021 1/20 0.63
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
AKR1B1 P15121 1/20 0.50
ALOX5 P09917 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.48
KLK7 P49862 1/20 0.48
MGLL Q99685 2/20 0.47

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
SCHEMBL9736831 0.85 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL9464170 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL27418764 0.83 ALDH1A1 (0.77) ALDH1A1MAPK1L3MBTL1PAMTSHR
Ammonia Solution, Strong SCHEMBL27732594 0.83 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL18331645 0.82 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL17928599 0.82 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL28395073 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL28565079 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL1873977 0.82 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL8693468 0.82 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1PAMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group AMPLYX PHARMACEUTICALS, INC. (US) 2023-10-03 US disclosed
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group AMPLYX PHARMACEUTICALS, INC. (US) 2023-10-03 US disclosed
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-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
US-20210275510-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND AMINO GROUP BASILEA PHARMACEUTICA INTERNATIONAL AG, ALLSCHWIL (CH) 2021-09-09 US disclosed
US-20190350960-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-11-21 US disclosed
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 US disclosed
US-7427636-B2 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-09-23 US disclosed
US-7427624-B2 Purine nucleoside phosphorylase inhibitory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-09-23 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2008-07-10 US disclosed
US-20080107628-A1 Polymerase inhibitors GILEAD SCIENCES, INC. 2008-05-08 US disclosed
US-20080008682-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2008-01-10 US disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 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 (12 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 ALDH1A1 1078/4885MAPK1 2437/4885L3MBTL1 4500/4885
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS PHOSPHO1, PGLS, PSPH ALDH1A1 4791/4885MAPK1 2480/4885L3MBTL1 2791/4885
US-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E ALDH1A1 1919/4885MAPK1 2071/4885L3MBTL1 4328/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA ALDH1A1 4577/4885MAPK1 1627/4885L3MBTL1 2435/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ALDH1A1 1078/4885MAPK1 2437/4885L3MBTL1 4500/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 ALDH1A1 1927/4885MAPK1 2238/4885L3MBTL1 1645/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 ALDH1A1 2811/4885MAPK1 2016/4885L3MBTL1 1350/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA ALDH1A1 4577/4885MAPK1 1627/4885L3MBTL1 2435/4885
US-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 ALDH1A1 3629/4885MAPK1 1529/4885L3MBTL1 3260/4885
US-20210275510-A1 PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND AMINO GROUP ERG28, PDXK, PAH ALDH1A1 2148/4885MAPK1 923/4885L3MBTL1 4607/4885
US-11771688-B2 Pyridine derivatives substituted by heterocyclic ring and amino group ERG28, PDXK, PAH ALDH1A1 2148/4885MAPK1 923/4885L3MBTL1 4607/4885
US-20190350960-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NME4, NUDT15 ALDH1A1 2854/4885MAPK1 2037/4885L3MBTL1 1285/4885

“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.