SCHEMBL16769645

SCHEMBL16769645

Nc1c(-c2ccc(C(=O)O)cc2)cc(-c2ccc(OC=O)cc2)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.50
RXRA P19793 3/20 0.46
HSD17B10 Q99714 1/20 0.44
RXRB P28702 2/20 0.42
ERN1 O75460 3/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL14961177 0.88 ERN1 (0.47) MAP4K4RXRAHSD17B10RXRBERN1
SCHEMBL14961176 0.88 ERN1 (0.47) MAP4K4RXRAHSD17B10RXRBERN1
SCHEMBL18504207 0.88 HSD17B10 (0.49) MAP4K4RXRAHSD17B10RXRBERN1
SCHEMBL12535966 0.88 RXRA (0.54) RXRAHSD17B10RXRBERN1TRIM24
SCHEMBL10260784 0.88 RXRA (0.54) RXRAHSD17B10RXRBERN1TRIM24
SCHEMBL16769649 0.88 RXRA (0.54) RXRAHSD17B10RXRBERN1TRIM24
SCHEMBL16769640 0.87 RXRA (0.49) MAP4K4RXRAHSD17B10RXRBERN1
SCHEMBL12780511 0.86 HSD17B10 (0.56) RXRAHSD17B10RXRBERN1TRIM24
SCHEMBL16749641 0.86 MAP4K4 (0.57) MAP4K4RXRARXRBEGFR
SCHEMBL15119807 0.84 RXRA (0.51) RXRAHSD17B10RXRBERN1TRIM24

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 MAP4K4 4069/4885RXRA 2502/4885HSD17B10 3807/4885
US-20160346759-A1 Iron Metal Organic Framework Materials TFRC, FTH1, FECH MAP4K4 3413/4885RXRA 4751/4885HSD17B10 4292/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 MAP4K4 3700/4885RXRA 4007/4885HSD17B10 3999/4885

“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.