SCHEMBL16749656

SCHEMBL16749656

COC(=O)c1cccc(-c2cc(-c3cccc(C(=O)OC)c3)c(-c3cccc(C(=O)OC)c3)cc2-c2cccc(C(=O)OC)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
ERN1 O75460 3/20 0.56
TSHR P16473 1/20 0.55
AXL P30530 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
ASH1L Q9NR48 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
CDK8 P49336 1/20 0.52
PLAU P00749 1/20 0.52
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.51
PDK2 Q15119 1/20 0.51

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
SCHEMBL67941 0.90 CA12 (0.68) CA12CA1CA2CA9ERN1
SCHEMBL27715902 0.88 CA12 (0.71) CA12CA1CA2CA9ERN1
SCHEMBL30760378 0.88 ASH1L (0.54) CA12CA1CA2CA9ERN1
SCHEMBL28755028 0.87 TSHR (0.60) CA12CA1CA2CA9ERN1
Methane SCHEMBL28667111 0.86 TSHR (0.58) CA12CA1CA2CA9ERN1
SCHEMBL6538289 0.85 PLAU (0.54) CA12CA1CA2CA9ERN1
SCHEMBL1221576 0.85 TSHR (0.67) CA12CA1CA2CA9ERN1
SCHEMBL29410906 0.85 TSHR (0.67) CA12CA1CA2CA9ERN1
SCHEMBL7830361 0.84 NR1H4 (0.57) CA12CA1CA2CA9ERN1
SCHEMBL6082886 0.84 EGFR (0.57) CA12CA1CA2CA9ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514159-A1 ALUMINIUM METAL ORGANIC FRAMEWORK MATERIAL The Texas A&M University System (US) 2019-07-24 EP 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-20160346759-A1 Iron Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2016-12-01 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
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
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 (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-20160346759-A1 Iron Metal Organic Framework Materials TFRC, FTH1, FECH CA12 321/4885CA1 514/4885CA2 405/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 CA12 284/4885CA1 94/4885CA2 113/4885

“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.