SCHEMBL16769641

SCHEMBL16769641

CC[C@@H](C)COc1c(-c2ccc(C(=O)O)cc2)cc(-c2ccc(OC=O)cc2)cc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
SRD5A2 P31213 3/20 0.42
RARB P10826 5/20 0.41
MAP4K4 O95819 1/20 0.40
RXRA P19793 4/20 0.39
RXRB P28702 3/20 0.39
PTPN11 Q06124 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL16749635 0.90 MAPT (0.54) MAPTSRD5A2RARBMAP4K4RXRA
SCHEMBL16769646 0.81 RARB (0.62) RARBPTPN11
SCHEMBL7699686 0.78 MAPT (0.60) MAPTSRD5A2RARBRXRARXRB
SCHEMBL7699688 0.78 MAPT (0.60) MAPTSRD5A2RARBRXRARXRB
SCHEMBL21182609 0.78 EGFR (0.45) MAPT
SCHEMBL16749647 0.78 EGFR (0.45) MAPT
SCHEMBL16769640 0.77 RXRA (0.49) RARBMAP4K4RXRARXRBHSD17B10
SCHEMBL14961176 0.76 ERN1 (0.47) MAP4K4RXRARXRBHSD17B10
SCHEMBL16769645 0.76 MAP4K4 (0.50) MAP4K4RXRARXRBHSD17B10
SCHEMBL14961177 0.76 ERN1 (0.47) MAP4K4RXRARXRBHSD17B10

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 MAPT 2925/4885SRD5A2 2175/4885RARB 2639/4885
US-20160346759-A1 Iron Metal Organic Framework Materials TFRC, FTH1, FECH MAPT 1020/4885SRD5A2 2658/4885RARB 4562/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 MAPT 380/4885SRD5A2 3711/4885RARB 4394/4885

“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.