Sugi Predict

Sugi Predict / Compounds / SCHEMBL7187009

SCHEMBL7187009

SCHEMBL7187009

CCO[PH](=O)OC(C(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLQ O75417 1/20 0.34
▸ POLB P06746 3/20 0.34
▸ PPARA Q07869 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TXNRD1 Q16881 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ACP3 P15309 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ PLK3 Q9H4B4 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33

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
SCHEMBL7181525 0.83 L3MBTL1 (0.40) PPARGALDH1A1SMN1; SMN2PPARACYP3A4
SCHEMBL7183743 0.81 PPARA (0.38) PPARGALDH1A1SMN1; SMN2POLBPPARA
SCHEMBL7181329 0.81 CA12 (0.42) ALDH1A1SMN1; SMN2PPARAKMT2AMEN1
SCHEMBL7183300 0.78 MEN1 (0.41) PPARGALDH1A1SMN1; SMN2PPARAKMT2A
SCHEMBL7177113 0.78 MAPT (0.37) PPARGALDH1A1SMN1; SMN2POLBPPARA
SCHEMBL7735682 0.78 PPARA (0.36) PPARGALDH1A1SMN1; SMN2PPARAKMT2A
SCHEMBL7187136 0.76 PPARA (0.37) PPARGALDH1A1SMN1; SMN2PPARAKMT2A
SCHEMBL7176038 0.76 ALDH1A1 (0.39) ALDH1A1POLBPPARAKMT2AMEN1
SCHEMBL7181130 0.75 TDP1 (0.39) POLBKMT2ACYP3A4MEN1
SCHEMBL7180997 0.72 MMP8 (0.50) PPARGEPHX2ALDH1A1SMN1; SMN2KMT2A

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 PPARG 2956/4885EPHX2 2476/4885ALDH1A1 3416/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 PPARG 2776/4885EPHX2 2048/4885ALDH1A1 3984/4885

“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.