SCHEMBL17213587

SCHEMBL17213587

COc1ccc(Cl)[n+](C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA7 P43166 2/20 0.43
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ACHE P22303 3/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 4/20 0.36
MAPK1 P28482 3/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL942390 0.76 CA1 (0.42) CA1CA2CA9CA7CA12
SCHEMBL17213591 0.67
1,4-Dimethoxybenzene SCHEMBL8489 0.64 CA1 (1.00) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.64 CA1 (1.00) CA1CA2CA9CA7CA12
SCHEMBL4128652 0.64 CA1 (0.69) CA1CA2CA9CA7CA12
SCHEMBL2226770 0.64
SCHEMBL154527 0.64
1,4-Dimethoxybenzene SCHEMBL5960077 0.62 CA1 (0.65) CA1CA2CA9CA7CA12
Hydrochloric Acid SCHEMBL11293911 0.62 CA1 (0.65) CA1CA2CA9CA7CA12
Water SCHEMBL9443323 0.62 CA1 (0.65) CA1CA2CA9CA7CA12

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
EP-3137472-B1 N-SUBSTITUTED PYRIDINIOPHOSPHINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2018-07-04 EP disclosed
US-9962690-B2 N-substituted pyridiniophosphines, processes for their preparation and their use STUDIENGESELLSCHAFT KOHLE MBH (DE) 2018-05-08 US disclosed
US-20170050180-A1 N-SUBSTITUTED PYRIDINIOPHOSPHINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE STUDIENGESELLSCHAFT KOHLE MBH (DE) 2017-02-23 US disclosed
WO-2015165781-A1 N-substituted pyridiniophosphines, processes for their preparation and their use STUDIENGESELLSCHAFT KOHLE MBH (DE) 2015-11-05 WO disclosed
EP-2937354-A1 N-substituted pyridiniophosphines, processes for their preparation and their use Studiengesellschaft Kohle mbH (DE) 2015-10-28 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 (1 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-20170050180-A1 N-SUBSTITUTED PYRIDINIOPHOSPHINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE PNPO, PHOSPHO1, NAPEPLD CA1 4303/4885CA2 3424/4885CA9 3780/4885

“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.