Sugi Predict

Sugi Predict / Compounds / SCHEMBL3975498

SCHEMBL3975498

SCHEMBL3975498

CCCC[Si](OC)(O[Si](CCCC)(OC)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.35
▸ TSHR P16473 1/20 0.33
▸ CETP P11597 3/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MPO P05164 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ SLC9A1 P19634 1/20 0.31
▸ AR P10275 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL704368 0.92 LTA4H (0.37) LTA4HTSHRPCSK9NPC1LMNA
SCHEMBL19470842 0.87 LTA4H (0.38) LTA4HNPC1LMNARAB9ASMN1; SMN2
SCHEMBL19470820 0.85 KCNH2 (0.40) LTA4HNPC1RAB9ASMN1; SMN2NAAA
SCHEMBL19470834 0.85 KCNH2 (0.40) LTA4HNPC1RAB9ASMN1; SMN2NAAA
SCHEMBL19470847 0.85 KCNH2 (0.40) LTA4HNPC1RAB9ASMN1; SMN2NAAA
SCHEMBL3110900 0.85 KCNH2 (0.40) LTA4HNPC1RAB9ASMN1; SMN2NAAA
SCHEMBL19356833 0.85 KCNH2 (0.40) LTA4HNPC1RAB9ASMN1; SMN2NAAA
SCHEMBL28015825 0.84 LTA4H (0.40) LTA4HTSHRNPC1LMNARAB9A
SCHEMBL647734 0.82 CA4 (0.33) LTA4H
SCHEMBL703491 0.82 CA4 (0.33) LTA4H

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106566855-A Nucleic acid amplification using reversibly modified oligonucleotide 毕万里 2017-04-19 — — CN claimed
CN-104672273-B Asymmetric hydroxyl double-deck shape and trapezoidal oligomeric silsesquioxane and its synthetic method and application 杭州师范大学 2017-09-19 — — CN disclosed
CN-107011167-A The method for preparing the angelate of ingenol 3 利奥实验室有限公司 2017-08-04 — — CN disclosed
CN-105246866-B The method of synthesis ingenol and its intermediate 利奥实验室有限公司 2017-06-16 — — CN disclosed
US-9676698-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2017-06-13 — — US disclosed
US-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE LEO LABORATORIES LIMITED (IE) 2016-09-29 — — US disclosed
CN-104011026-B Insecticidal aromatic amides 拜耳知识产权股份有限公司 2016-07-20 — — CN disclosed
EP-2054427-A2 AVERMECTIN DERIVATIVES Bayer CropScience AG (DE) 2009-05-06 — — EP disclosed
WO-2008019784-A2 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-21 — — 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-20160280627-A1 METHOD OF PRODUCING INGENOL-3-ANGELATE PRKAG3, AMPD3, ERG28 LTA4H 1693/4885TSHR 2588/4885CETP 2293/4885

“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.