SCHEMBL1491260

SCHEMBL1491260

O=C(O)C(P(=O)(O)Oc1ccccc1)(P(=O)(O)Oc1ccccc1)P(=O)(O)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.57
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ANPEP P15144 2/20 0.41
LAP3 P28838 2/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2353943 0.82 SRC (0.50) SRCALDH1A1L3MBTL1TDP1KDM4E
SCHEMBL28640641 0.79 SRC (0.52) SRCALDH1A1L3MBTL1TDP1CYP2C9
SCHEMBL1491262 0.79 SRC (0.52) SRCALDH1A1L3MBTL1TDP1CYP2C9
SCHEMBL9372893 0.78 PIN1 (0.46) SRCALDH1A1L3MBTL1ANPEPLAP3
Phenyl Dihydrogen Phosphate SCHEMBL11308301 0.74 SRC (0.91) SRCALDH1A1L3MBTL1TDP1CYP2C9
Phenyl Dihydrogen Phosphate SCHEMBL20263 0.73 SRC (1.00) SRCALDH1A1L3MBTL1TDP1CYP2C9
SCHEMBL6686008 0.73 SRC (0.73) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL4272051 0.73 SRC (0.73) SRCL3MBTL1TDP1CYP2C9CYP2C19
SCHEMBL37038 0.73 SRC (0.73) SRCALDH1A1L3MBTL1TDP1CYP2C9
Benzene SCHEMBL11142811 0.73 SRC (0.73) SRCALDH1A1L3MBTL1TDP1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016074696-A1 PERFUME INGREDIENTS AND PERFUME PREPARATIONS CONTAINING SAME GIVAUDAN AG (CH) 2016-05-19 WO disclosed
US-7897635-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-03-01 US disclosed
US-20070082883-A1 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-04-12 US disclosed
US-7157489-B2 HIV protease inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-01-02 US disclosed
EP-1485387-A1 CARBAMATES AS HIV PROTEASE INHIBITORS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-12-15 EP disclosed
US-20040039016-A1 HIV protease inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-26 US disclosed
WO-2003078438-A1 CARBAMATES AS HIV PROTEASE INHIBITORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-09-25 WO disclosed
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
EP-0551034-B1 Antibiotic cephalosporins having in position 7 a substituted benzyloxyimino radical HOECHST MARION ROUSSEL INC (FR) 2000-09-20 EP disclosed
EP-1016646-A1 Intermediates for the preparation of cephalosporines containing on the 7-position a substituted benzyloximino radical HOECHST MARION ROUSSEL (FR) 2000-07-05 EP disclosed
US-5883248-A QUATERNARY AMMONIUM INTERMEDIATES ROUSSEL UCLAF (FR) 1999-03-16 US disclosed
US-5763617-A Cephalosporins ROUSSEL UCLAF (FR) 1998-06-09 US disclosed
US-5728828-A A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS ROUSSEL UCLAF (FR) 1998-03-17 US disclosed
US-5712266-A Cephalosporins ROUSSEL UCLAF (FR) 1998-01-27 US disclosed
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed
US-5455238-A Bactericides ROUSSEL UCLAF (FR) 1995-10-03 US disclosed
EP-0551034-A2 Cephalosporins having in position 7 a benzyloxyimino radical substitute, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1993-07-14 EP disclosed
US-4599330-A 24,24-DIFLUORO-1,25-DIHYDROXYCHOLECALCIFEROL HOFFMANN-LA ROCHE INC. (US) 1986-07-08 US disclosed
US-4421690-A ANTI-RACHITOGENIC HOFFMANN-LA ROCHE INC. (US) 1983-12-20 US disclosed
US-4397847-A OF OSTEOPOROSIS WITH 24,24-DIFLUORO-1,25-DIHYDROXYCHOLECALCIFEROL HOFFMANN-LA ROCHE INC. (US) 1983-08-09 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-20070082883-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP SRC 3633/4885ALDH1A1 2558/4885L3MBTL1 898/4885
US-20040039016-A1 HIV protease inhibitors SERPINB1, TMPRSS15, DNPEP SRC 3633/4885ALDH1A1 2558/4885L3MBTL1 898/4885

“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.