SCHEMBL16769653

SCHEMBL16769653

COc1cc(OC=O)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
PTGS2 P35354 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.41
PLA2G2A P14555 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL12384276 0.90 MEN1 (0.44) RXRACA1CA2KDM4ECA12
SCHEMBL12349931 0.88 CA12 (0.42) CA1CA2KDM4ECA12CA3
SCHEMBL39734 0.86 CA1 (0.60) RXRACA1CA2KDM4ECA12
3,5-Dimethoxybenzoic Acid SCHEMBL503889 0.86 RXRA (0.64) RXRACA1CA2ABCG2KDM4E
SCHEMBL25508690 0.84 RXRA (0.58) RXRACA1CA2ABCG2KDM4E
Hydrochloric Acid SCHEMBL3361588 0.84 CA1 (0.58) RXRACA1CA2KDM4ECA12
3,5-Dimethoxybenzoic Acid SCHEMBL20592058 0.84 RXRA (0.62) RXRACA1CA2ABCG2KDM4E
Hydrochloric Acid SCHEMBL19118500 0.84 CA1 (0.58) RXRACA1CA2KDM4ECA12
3,5-Dimethoxybenzoic Acid SCHEMBL5668197 0.84 RXRA (0.62) RXRACA1CA2ABCG2KDM4E
SCHEMBL2092735 0.84 ALDH1A1 (0.58) ABCG2PTGS2ALDH1A1

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 RXRA 2502/4885CA1 13/4885CA2 7/4885
US-20160346759-A1 Iron Metal Organic Framework Materials TFRC, FTH1, FECH RXRA 4751/4885CA1 514/4885CA2 405/4885
US-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 RXRA 4007/4885CA1 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.