Sugi Predict

Sugi Predict / Compounds / SCHEMBL7189213

SCHEMBL7189213

SCHEMBL7189213

CC(C)(C)c1cc(C(C)(C)C)c(C(=O)c2ccccc2P)c(C(C)(C)C)c1.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.38
▸ PTGS2 P35354 3/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RXRB P28702 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NR5A2 O00482 1/20 0.33
▸ NR5A1 Q13285 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RXRA P19793 2/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ ELANE P08246 1/20 0.31

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
SCHEMBL10350353 0.77 ALOX5 (0.48) ALOX5PTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL7180022 0.72 GFER (0.43) CYP3A4CYP2C9TSHRMAPTTP53
SCHEMBL7186983 0.71 ALDH1A1 (0.37) CYP3A4CYP2C9POLB
SCHEMBL7177456 0.71 KMT2A (0.41) POLBSMN1; SMN2NPSR1
SCHEMBL7183628 0.70 CYP3A4 (0.42) PTGS2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL7181486 0.70 TP53 (0.36) ALOX5PTGS2CYP3A4CYP2C9RXRB
SCHEMBL98046 0.69 KMT2A (0.42) POLBSMN1; SMN2NPSR1
SCHEMBL7185600 0.69 SMN1; SMN2 (0.34) ALOX5PTGS2CYP3A4CYP2C9SMN1; SMN2
SCHEMBL7189850 0.69 MEN1 (0.34) ALOX5PTGS2RXRBTP53THRB
SCHEMBL7175276 0.69 ALDH1A1 (0.35) CYP3A4CYP2C9POLB

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 ALOX5 1863/4885PTGS2 3909/4885CYP1A2 1595/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 ALOX5 1672/4885PTGS2 3871/4885CYP1A2 2020/4885

“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.