SCHEMBL16749640

SCHEMBL16749640

CCCCCCOc1c(-c2ccc(C(=O)O)cc2)cc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.68
PTPN11 Q06124 2/20 0.63
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 5/20 0.58
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RARA P10276 1/20 0.55
MAPT P10636 1/20 0.55
MTOR P42345 1/20 0.55
KMT2A Q03164 1/20 0.55
PLA2G4A P47712 1/20 0.53

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
SCHEMBL16769646 0.89 RARB (0.62) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL16749654 0.86 RARB (0.50) RARBPTPN11TP53TSHRALDH1A1
SCHEMBL18314440 0.85 RARB (0.66) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL22972766 0.82 RXRA (0.56) RARBPLA2G4B
SCHEMBL29908909 0.82 RXRA (0.56) RARBPLA2G4B
SCHEMBL16769667 0.82 TDP1 (0.48) RARBPTPN11ALDH1A1MAPT
SCHEMBL20016357 0.82 RARB (0.61) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL641904 0.81 RARB (1.00) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL4185457 0.81 RARB (1.00) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL8532269 0.81 RARB (1.00) RARBPTPN11TP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220023829-A1 AMORPHOUS METAL ORGANIC FRAMEWORKS AND METHODS OF PREPARING THE SAME ABSORPTION SOLUTIONS LLC 2022-01-27 US disclosed
WO-2020117833-A2 AMORPHOUS METAL ORGANIC FRAMEWORKS AND METHODS OF PREPARING THE SAME FRAMERGY INC. (US) 2020-06-11 WO 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-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-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
US-9102691-B2 Aluminum metal organic framework materials TEXAS A&M UNIVERSITY SYSTEM (US) 2015-08-11 US disclosed
WO-2015079229-A1 PROCESS FOR PREPARING METAL ORGANIC FRAMEWORK MATERIALS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-04 WO disclosed
WO-2015079230-A1 ALUMINIUM METAL ORGANIC FRAMEWORK MATERIALS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-04 WO disclosed
US-20150152123-A1 Aluminum Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2015-06-04 US disclosed
EP-2876112-A1 Monocrystalline iron metal organic frameworks THE TEXAS A & M UNIVERSITY SYSTEM (US) 2015-05-27 EP 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 (3 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 RARB 2639/4885PTPN11 3759/4885TP53 292/4885
US-20160346759-A1 Iron Metal Organic Framework Materials TFRC, FTH1, FECH RARB 4562/4885PTPN11 3946/4885TP53 1470/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 RARB 4394/4885PTPN11 3954/4885TP53 385/4885

“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.