Sugi Predict

Sugi Predict / Compounds / SCHEMBL6876798

SCHEMBL6876798

SCHEMBL6876798

CC(C)(C)c1ccc(C=Cc2cccc(C=Cc3ccccc3)c2[Si](c2c(C=Cc3ccccc3)cccc2C=Cc2ccc(C(C)(C)C)cc2)(c2c(C=Cc3ccccc3)cccc2C=Cc2ccc(C(C)(C)C)cc2)c2c(C=Cc3ccccc3)cccc2C=Cc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.49
▸ NR1H3 Q13133 1/20 0.49
▸ TRPV1 Q8NER1 3/20 0.42
▸ NFE2L2 Q16236 5/20 0.41
▸ TRPA1 O75762 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ DHFR P00374 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7535089 0.82 CYP1A2 (0.55) NR1H2NR1H3TRPV1NFE2L2TRPA1
SCHEMBL6546384 0.82 CYP1A2 (0.55) NR1H2NR1H3TRPV1NFE2L2TRPA1
SCHEMBL28779440 0.82 CYP1A2 (0.55) NR1H2NR1H3TRPV1NFE2L2TRPA1
SCHEMBL1205645 0.75 CHAT (0.59) NR1H2NR1H3
SCHEMBL1205644 0.75 CHAT (0.59) NR1H2NR1H3
SCHEMBL7512833 0.75 MAOB (0.61) NR1H2NR1H3TRPV1NFE2L2TRPA1
SCHEMBL2748308 0.75 CYP1A2 (0.52) NR1H2NR1H3TRPV1NFE2L2CYP1A2
SCHEMBL7592145 0.75 MAOB (0.61) NR1H2NR1H3TRPV1NFE2L2TRPA1
SCHEMBL1825729 0.74 CYP1A2 (0.64) NR1H2NR1H3TRPV1CYP1A2POLB
SCHEMBL1825727 0.74 CYP1A2 (0.64) NR1H2NR1H3TRPV1CYP1A2POLB

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
WO-2001083410-A1 SOLUBLE TETRAHEDRAL COMPOUNDS FOR USE IN ELECTROLUMINESCENT DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-08 — — WO claimed
US-6824890-B2 TOPOLOGICAL STRATEGY FOR DESIGNING AMORPHOUS MOLECULAR SOLIDS FOR FORMING THIN FILMS IN OPTOELECTRONIC DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-11-30 — — US disclosed
US-20030055278-A1 Soluble tetrahedral compounds for use in electroluminescent devices NATIONAL SCIENCE FOUNDATION 2003-03-20 — — US disclosed
WO-2001083410-A1 SOLUBLE TETRAHEDRAL COMPOUNDS FOR USE IN ELECTROLUMINESCENT DEVICES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-08 — — WO 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 (1 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-20030055278-A1 Soluble tetrahedral compounds for use in electroluminescent devices PAX3, EPCAM, PAXBP1 NR1H2 2967/4885NR1H3 2725/4885TRPV1 2087/4885

“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.