SCHEMBL16769646

SCHEMBL16769646

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

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.62
PTPN11 Q06124 3/20 0.58
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G4B P0C869 6/20 0.54
PLA2G4A P47712 1/20 0.50
PLA2G2A P14555 1/20 0.46

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
SCHEMBL16749640 0.89 RARB (0.68) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL16769641 0.81 MAPT (0.44) RARBPTPN11
SCHEMBL16769640 0.78 RXRA (0.49) RARB
SCHEMBL4185457 0.78 RARB (1.00) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL5828640 0.78 RARB (1.00) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL641904 0.78 RARB (1.00) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL7172427 0.78 RARB (1.00) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL8943017 0.78 RARB (1.00) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL5858775 0.78 RARB (1.00) RARBPTPN11TP53TSHRPLA2G4B
SCHEMBL8532269 0.78 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9102691-B2 Aluminum metal organic framework materials TEXAS A&M UNIVERSITY SYSTEM (US) 2015-08-11 US disclosed
US-20150152123-A1 Aluminum Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2015-06-04 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 (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.