SCHEMBL4344779

SCHEMBL4344779

O=C1OC2(C3=C(Cl)C=CCC13)c1ccc(O)cc1Oc1cc(O)c(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMAD3 P84022 1/20 0.38
KMT2A Q03164 1/20 0.38
PRMT1 Q99873 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD1 P21728 2/20 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
SCHEMBL530116 0.81 FTO (0.36) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL11303380 0.78 FTO (0.36) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL332302 0.73 FTO (0.36) FTO
SCHEMBL315867 0.71 FTO (0.45) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL29871701 0.70 FTO (0.79) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL4173117 0.70 FTO (0.79) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL2483039 0.69 FTO (0.58) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL1463198 0.68 SMAD3 (0.56) FTOHPGDMEN1MAPTCYP2C19
SCHEMBL147188 0.68 FTO (0.33) FTO
SCHEMBL3747895 0.66 FTO (0.35) FTO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors BATTERJEE MEDICAL COLLEGE (SA) 2023-09-12 US disclosed
US-20230174474-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS BATTERJEE MEDICAL COLLEGE (SA) 2023-06-08 US disclosed
WO-2021262645-A1 REDOX-RESPONSIVE NANOPARTICLE COMPOSITIONS FOR OCULAR DELIVERY OF THERAPEUTICS OHIO STATE INNOVATION FOUNDATION (US) 2021-12-30 WO disclosed
US-9845457-B2 Maintenance of genomic stability in cultured stem cells CEDARS-SINAI MEDICAL CENTER (US) 2017-12-19 US disclosed
US-20160108365-A1 MAINTENANCE OF GENOMIC STABILITY IN CULTURED STEM CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-21 US disclosed
US-20160000915-A1 CROSSLINKING OF CD22 BY EPRATUZUMAB TRIGGERS BCR SIGNALING AND CASPASE-DEPENDENT APOPTOSIS IN HEMATOPOIETIC CANCER CELLS IMMUNOMEDICS, INC. 2016-01-07 US disclosed
WO-2014127360-A1 PCL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-08-21 WO disclosed
US-20090325858-A1 Reduction of Zinc-Induced Neurotoxic Injury By Blockade of Nitric Oxide Synthesis ANDRO DIAGNOSTICS, INC. (US) 2009-12-31 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-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors ALDH1A1, ADH1A, ALDH3A1 FTO 2106/4885HPGD 569/4885MEN1 2198/4885
US-20230174474-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS ALDH1A1, ADH1A, ALDH3A1 FTO 2106/4885HPGD 569/4885MEN1 2198/4885

“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.