SCHEMBL879028

SCHEMBL879028

Cc1cc(-c2cc(C)c(I)c(C)c2)cc(C)c1I

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL22521959 0.91 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL22521957 0.88 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL18823434 0.84 TDP1 (0.40) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL26256413 0.84 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL760815 0.79 RAPGEF4 (0.45) ALDH1A1TSHRTDP1TP53CA1
SCHEMBL17481117 0.79 TTR (0.40)
SCHEMBL1109760 0.76 RAPGEF4 (0.43) ALDH1A1TSHRTDP1TP53CA1
SCHEMBL9359704 0.76 RAPGEF4 (0.43) ALDH1A1TSHRTDP1TP53CA1
Hydrochloric Acid SCHEMBL29360453 0.76 RAPGEF4 (0.43) ALDH1A1TSHRTDP1TP53CA1
Hydrochloric Acid SCHEMBL30511867 0.76 RAPGEF4 (0.43) ALDH1A1TSHRTDP1TP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738068-B2 Organic/inorganic hybrid nanoparticulates made from iron carboxylates Centre National de la Recherche Scientifique—CNRS (FR) 2020-08-11 US disclosed
EP-3514159-A1 ALUMINIUM METAL ORGANIC FRAMEWORK MATERIAL The Texas A&M University System (US) 2019-07-24 EP disclosed
EP-3143033-B1 CHROMIUM METAL ORGANIC FRAMEWORKS AND SYNTHESIS OF METAL ORGANIC FRAMEWORKS TEXAS A & M UNIV SYS (US) 2019-04-10 EP disclosed
US-9951095-B2 Chromium metal organic frameworks and synthesis of metal organic frameworks THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-04-24 US disclosed
US-9951095-B2 Chromium metal organic frameworks and synthesis of metal organic frameworks THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-04-24 US disclosed
US-9724668-B2 Iron metal organic framework materials THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-08-08 US disclosed
US-9724668-B2 Iron metal organic framework materials THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-08-08 US disclosed
US-20170050995-A1 Chromium Metal Organic Frameworks and Synthesis of Metal Organic Frameworks THE TEXAS A&M UNIVERSITY SYSTEM 2017-02-23 US disclosed
US-20170050995-A1 Chromium Metal Organic Frameworks and Synthesis of Metal Organic Frameworks THE TEXAS A&M UNIVERSITY SYSTEM 2017-02-23 US disclosed
US-20160346759-A1 Iron Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2016-12-01 US disclosed
EP-2876112-B1 Monocrystalline iron metal organic frameworks TEXAS A & M UNIV SYS (US) 2016-07-13 EP disclosed
WO-2015173553-A1 Chromium Metal Organic Frameworks and Synthesis of Metal Organic Frameworks THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-11-19 WO disclosed
US-9102691-B2 Aluminum metal organic framework materials TEXAS A&M UNIVERSITY SYSTEM (US) 2015-08-11 US disclosed
US-9102691-B2 Aluminum metal organic framework materials TEXAS A&M UNIVERSITY SYSTEM (US) 2015-08-11 US disclosed
WO-2015079230-A1 ALUMINIUM METAL ORGANIC FRAMEWORK MATERIALS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-04 WO disclosed
WO-2015079229-A1 PROCESS FOR PREPARING METAL ORGANIC FRAMEWORK MATERIALS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-04 WO disclosed
EP-2876112-A1 Monocrystalline iron metal organic frameworks THE TEXAS A & M UNIVERSITY SYSTEM (US) 2015-05-27 EP disclosed
EP-2260048-B1 POROUS CRYSTALLINE HYBRID SOLID FOR ADSORBING AND RELEASING GAS OF BIOLOGICAL INTEREST CENTRE NAT RECH SCIENT (FR) 2012-03-28 EP disclosed
US-20100209354-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2010-08-19 US disclosed
US-20100209354-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2010-08-19 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-20170050995-A1 Chromium Metal Organic Frameworks and Synthesis of Metal Organic Frameworks OXGR1, TFRC, PICALM ALDH1A1 2898/4885CYP3A4 1403/4885TSHR 1132/4885
US-20160346759-A1 Iron Metal Organic Framework Materials TFRC, FTH1, FECH ALDH1A1 3550/4885CYP3A4 902/4885TSHR 2581/4885
US-10738068-B2 Organic/inorganic hybrid nanoparticulates made from iron carboxylates SLC40A1, FECH, FTH1 ALDH1A1 301/4885CYP3A4 1954/4885TSHR 2456/4885
US-20100209354-A1 ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES SLC39A3, SLC40A1, AOC3 ALDH1A1 488/4885CYP3A4 1552/4885TSHR 2404/4885

“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.