SCHEMBL12759094

SCHEMBL12759094

CC(c1ccccc1)P(C1CCCCC1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX1 P07099 2/20 0.41
IDO1 P14902 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
RECQL P46063 1/20 0.37
PKM P14618 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ROCK2 O75116 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2D6 P10635 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL30673227 0.85 GAA (0.43) GAAL3MBTL1EPHX1IDO1LMNA
SCHEMBL12759079 0.75 EPHX2 (0.38) LMNAALDH1A1MCOLN3CYP2C19CHRM3
Biphenyl SCHEMBL27916362 0.73 ROCK2 (0.37) GAAL3MBTL1EPHX1LMNAALDH1A1
SCHEMBL12759095 0.73 SIGMAR1 (0.42) CYP2D6
SCHEMBL20712624 0.71 SLC6A4 (0.42) GAAL3MBTL1EPHX1IDO1LMNA
SCHEMBL4603729 0.69 GAA (0.55) GAAL3MBTL1EPHX1IDO1LMNA
SCHEMBL29054020 0.69 GAA (0.55) GAAL3MBTL1EPHX1IDO1LMNA
SCHEMBL27821886 0.69 GAA (0.55) GAAL3MBTL1EPHX1IDO1LMNA
SCHEMBL5185625 0.69 TSHR (0.54) GAAL3MBTL1EPHX1IDO1LMNA
SCHEMBL27514711 0.69 TSHR (0.54) GAAL3MBTL1EPHX1IDO1LMNA

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-8466306-B2 Sulfonated organophosphine compounds and use in hydroformylation processes DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-18 US disclosed
US-8466306-B2 Sulfonated organophosphine compounds and use in hydroformylation processes DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-18 US disclosed
US-20110054203-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES INC. (US) 2011-03-03 US disclosed
US-20110054203-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES INC. (US) 2011-03-03 US disclosed
WO-2009091669-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-23 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 (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-20110054203-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE IN HYDROFORMYLATION PROCESSES ORMDL3, IP6K3, ALK GAA 3692/4885L3MBTL1 2290/4885EPHX1 1809/4885

“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.