Sugi Predict

Sugi Predict / Compounds / SCHEMBL7197229

SCHEMBL7197229

SCHEMBL7197229

O=C(Pc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1Oc1ccccc1)c1c(C(F)(F)F)cccc1C(F)(F)F.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 2/20 0.38
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ AKR1C3 P42330 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ LPAR1 Q92633 1/20 0.35
▸ LPAR5 Q9H1C0 1/20 0.35
▸ STK39 Q9UEW8 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 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
SCHEMBL7181131 0.85 SCN8A (0.39) SCN8ASCN10AAKR1C3LPAR1LPAR5
Lithium SCHEMBL7181144 0.83 SCN8A (0.39) SCN8ASCN10AAKR1C3MAOBLPAR1
SCHEMBL7187892 0.82 KMT2A (0.42) AKR1C3PTGS1MEN1CYP2D6KMT2A
SCHEMBL7188798 0.82 MAPK14 (0.40) AKR1C3MAOBMEN1KMT2AMAPK14
SCHEMBL7182614 0.81 MEN1 (0.43) AKR1C3PTGS1MEN1CYP2D6KMT2A
SCHEMBL7179652 0.80 GAA (0.40) MAOBMEN1KMT2AMRGPRX4
SCHEMBL7182633 0.80 TTR (0.45) PTGS1MEN1CYP2D6KMT2A
SCHEMBL7185527 0.79 MRGPRX4 (0.50) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL7730586 0.78 MAPK8 (0.32) SCN8ASCN10AMAOBMEN1KMT2A
SCHEMBL7174736 0.77 NR1H2 (0.39) AKR1C3PTGS1MEN1CYP2D6KMT2A

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-6579663-B2 Chemical intermediates such as lithium 2,6-dimethylbenzoyl phenylphosphine for preparation of acylphosphines, acylphosphine oxides or acylphosphine sulfides CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 — — US disclosed
US-20020107413-A1 Organometallic monoacylarylphosphines WOLF JEAN-PIERRE (CH) 2002-08-08 — — US disclosed
US-6399805-B2 SUCH AS LITHIUM 2,6-DIMETHYLBENZOYLPHENYLPHOSPHINE, USE AS PHOTOINITIATORS IN PHOTOCURABLE COMPOSITIONS SUCH AS FOR PHOTOGRAPHIC PRODUCTION OF RELIEF IMAGES CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-04 — — US disclosed
US-20010031898-A1 Organometallic monoacylarylphosphines CIBA SPECIALTY CHEMICALS CORP. 2001-10-18 — — 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 (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-20020107413-A1 Organometallic monoacylarylphosphines CBR1, NAF1, DHCR24 SCN8A 427/4885SCN10A 283/4885AKR1C3 199/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 SCN8A 767/4885SCN10A 507/4885AKR1C3 209/4885

“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.