Sugi Predict

Sugi Predict / Compounds / SCHEMBL7183985

SCHEMBL7183985

SCHEMBL7183985

CCOCCOc1cc(OCCOCC)c(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)c(OCCOCC)c1.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 1/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPK1 P28482 1/20 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
SCHEMBL7177721 0.90 KMT2A (0.39) L3MBTL1LMNAMAPTKMT2AKCNK3
SCHEMBL7177796 0.89 HTT (0.39) L3MBTL1KMT2AKCNK3KCNK9KDM4E
SCHEMBL7182741 0.89 FAAH (0.41) CYP1A2CYP3A4CYP2D6CYP2C19PTGDR2
SCHEMBL7182209 0.88 THRA (0.41) CYP1A2CYP3A4CYP2D6CYP2C19PTGDR2
SCHEMBL7180865 0.88 KCNK3 (0.43) L3MBTL1LMNAKMT2AMEN1TAAR1
SCHEMBL7188859 0.87 LMNA (0.41) L3MBTL1LMNAMAPTKMT2AMEN1
SCHEMBL7181224 0.87 THRA (0.43) CYP2D6THRA
SCHEMBL7189117 0.85 PDK2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19MAPK1
SCHEMBL7178292 0.84 FFAR1 (0.41) L3MBTL1LMNAMAPTKMT2AMEN1
SCHEMBL7190024 0.84 L3MBTL1 (0.43) L3MBTL1LMNAMAPTKMT2AMEN1

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 L3MBTL1 302/4885LMNA 3241/4885MAPT 4870/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 L3MBTL1 126/4885LMNA 3247/4885MAPT 4859/4885

“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.