SCHEMBL18095930

SCHEMBL18095930

N#CNc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
GAA P10253 1/20 0.39
WDR5 P61964 1/20 0.39
CYP1A2 P05177 1/20 0.38
TPMT P51580 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CA3 P07451 1/20 0.38
MAPT P10636 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
SCHEMBL8887703 0.96 MEN1 (0.42) PKML3MBTL1CA12CA1CA2
SCHEMBL20010428 0.85 PKM (0.36) PKML3MBTL1GAAWDR5MEN1
SCHEMBL2346165 0.80 AKR1C3 (0.51) PKML3MBTL1MAPTMEN1KMT2A
Water SCHEMBL8887299 0.80 AKR1C3 (0.51) PKML3MBTL1MAPTMEN1KMT2A
SCHEMBL9726925 0.80 PKM (0.47) PKML3MBTL1CA12CA1CA2
SCHEMBL7287581 0.78 TSHR (0.52) CA12CA1CA2CA7CA9
SCHEMBL19189036 0.74 PKM (0.54) PKML3MBTL1CA12CA1CA2
SCHEMBL16749642 0.74 PKM (0.54) PKML3MBTL1CA12CA1CA2
Water SCHEMBL23005025 0.72 CA12 (0.58) PKML3MBTL1CA12CA1CA2
Water SCHEMBL28270952 0.72 CA12 (0.58) PKML3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10279334-B2 Microporous metal-organic frameworks for the removal of acetylene from ethylene THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-07 US disclosed
US-10279334-B2 Microporous metal-organic frameworks for the removal of acetylene from ethylene THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-07 US disclosed
US-20180085733-A1 MICROPOROUS METAL-ORGANIC FRAMEWORKS FOR THE REMOVAL OF ACETYLENE FROM ETHYLENE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-03-29 US disclosed
US-20180085733-A1 MICROPOROUS METAL-ORGANIC FRAMEWORKS FOR THE REMOVAL OF ACETYLENE FROM ETHYLENE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2018-03-29 US disclosed
WO-2016154300-A1 MICROPOROUS METAL-ORGANIC FRAMEWORKS FOR THE REMOVAL OF ACETYLENE FROM ETHYLENE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-29 WO 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-20180085733-A1 MICROPOROUS METAL-ORGANIC FRAMEWORKS FOR THE REMOVAL OF ACETYLENE FROM ETHYLENE AOC1, AOC2, SOD1 PKM 2350/4885L3MBTL1 969/4885CA12 131/4885
US-10279334-B2 Microporous metal-organic frameworks for the removal of acetylene from ethylene AOC1, AOC2, SOD1 PKM 2350/4885L3MBTL1 969/4885CA12 131/4885

“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.