SCHEMBL153136

SCHEMBL153136

COc1ccc(P(OC)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
CA7 P43166 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ACHE P22303 1/20 0.48
PKM P14618 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL10757614 0.86 CA12 (0.32) CA1CA2CA9CA7CA12
SCHEMBL10039485 0.78 ESR2 (0.33) MAPK1NPC1RAB9AABL1ABCB1
SCHEMBL50047 0.78 CA1 (0.65) CA1CA2CA9CA7CA12
SCHEMBL15658842 0.78 CA1 (0.65) CA1CA2CA9CA7CA12
SCHEMBL5691177 0.78 CA1 (0.65) CA1CA2CA9CA7CA12
Bromide SCHEMBL28452838 0.77 CA1 (0.55) CA1CA2CA9CA7CA12
Hydrochloric Acid SCHEMBL29193799 0.77 CA1 (0.55) CA1CA2CA9CA7CA12
SCHEMBL10735520 0.77 CA1 (0.48) CA1CA2CA9CA7CA12
SCHEMBL8939010 0.77 CA1 (0.48) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.76 CA1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889916-B2 Catalyst composition for hydroformylation reaction and hydroformylation process using the same LG CHEM, LTD. (KR) 2014-11-18 US disclosed
EP-2611538-A2 CATALYST COMPOSITION FOR HYDROFORMYLATION REACTION AND A HYDROFORMYLATION PROCESS USING THE SAME LG Chem, Ltd. (KR) 2013-07-10 EP disclosed
WO-2012030065-A2 CATALYST COMPOSITION FOR HYDROFORMYLATION REACTION AND A HYDROFORMYLATION PROCESS USING THE SAME LG CHEM, LTD. (KR) 2012-03-08 WO disclosed
US-20120059195-A1 CATALYST COMPOSITION FOR HYDROFORMYLATION REACTION AND HYDROFORMYLATION PROCESS USING THE SAME LG CHEM, LTD. (KR) 2012-03-08 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 (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-20120059195-A1 CATALYST COMPOSITION FOR HYDROFORMYLATION REACTION AND HYDROFORMYLATION PROCESS USING THE SAME ALDH3A1, ALDOA, ADH5 CA1 1279/4885CA2 2159/4885CA9 575/4885

“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.