Sugi Predict

Sugi Predict / Compounds / SCHEMBL7177697

SCHEMBL7177697

SCHEMBL7177697

CCCCOc1cc(OCCCC)c(PC(=O)c2c(C)cc(C)cc2C)c(OCCCC)c1.[LiH]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ THRB P10828 5/20 0.41
▸ THRA P10827 1/20 0.41
▸ ELANE P08246 2/20 0.40
▸ PLA2G2A P14555 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 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
SCHEMBL7180728 0.96 ITGB1 (0.46) ITGB1ITGA4THRBTHRAELANE
SCHEMBL7185757 0.95 THRB (0.47) ITGB1ITGA4THRBTHRAPLA2G2A
SCHEMBL7174748 0.94 ELANE (0.38) ITGB1ITGA4THRBTHRAELANE
SCHEMBL7184423 0.89 THRB (0.39) ITGB1ITGA4THRBTHRAELANE
SCHEMBL7174863 0.89 PPARG (0.43) THRBTHRAPTGESALOX5PPARG
SCHEMBL7175015 0.88 FFAR1 (0.35) ITGB1ITGA4THRBTHRAKDM4E
SCHEMBL7177978 0.88 THRB (0.39) ITGB1ITGA4THRBTHRAELANE
SCHEMBL7190235 0.87 NPC1 (0.35) ITGB1ITGA4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL7182727 0.85 THRB (0.43) ITGB1ITGA4THRBTHRAPLA2G2A
SCHEMBL7180526 0.85 KDM4E (0.38) ITGB1ITGA4KDM4ESMN1; SMN2ALDH1A1

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 ITGB1 2786/4885ITGA4 3521/4885THRB 2119/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ITGB1 3321/4885ITGA4 3643/4885THRB 2521/4885

“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.