Sugi Predict

Sugi Predict / Compounds / SCHEMBL22017917

SCHEMBL22017917

SCHEMBL22017917

C=CCOc1cc(OCCCC)ccc1-c1nc(-c2ccc(OCCCC)cc2OCC=C)nc(-c2ccc(OCCCC)cc2OCCCC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 2/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ PDK2 Q15119 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36

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
SCHEMBL22001827 0.89 GCGR (0.35) GCGRMAPTMEN1KMT2ALMNA
SCHEMBL29920062 0.82 NPC1 (0.50) GCGRMAPTMEN1KMT2ALMNA
SCHEMBL30771495 0.82 NPC1 (0.50) GCGRMAPTMEN1KMT2ALMNA
SCHEMBL195418 0.82 NPC1 (0.50) GCGRMAPTMEN1KMT2ALMNA
SCHEMBL996673 0.82 NPC1 (0.50) GCGRMAPTMEN1KMT2ALMNA
SCHEMBL29389504 0.82 NPC1 (0.50) GCGRMAPTMEN1KMT2ALMNA
SCHEMBL29353919 0.82 NPC1 (0.50) GCGRMAPTMEN1KMT2ALMNA
SCHEMBL22017309 0.81 THRB (0.46) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL20905171 0.80 NR5A1 (0.50) MAPTMEN1KMT2AALDH1A1CNR2
SCHEMBL14130605 0.80 NR5A1 (0.50) MAPTMEN1KMT2AALDH1A1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157060-A1 FILM FORMING MATERIAL, COMPOSITION FOR FILM FORMATION FOR LITHOGRAPHY, MATERIAL FOR OPTICAL COMPONENT FORMATION, RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, PERMANENT FILM FOR RESIST, RADIATION-SENSITIVE COMPOSITION, METHOD FOR PRODUCING AMORPHOUS FILM, UNDERLAYER FILM FORMING MATERIAL FOR LITHOGRAPHY, COMPOSITION FOR UNDERLAYER FILM FORMATION FOR LITHOGRAPHY, METHOD FOR PRODUCING UNDERLAYER FILM FOR LITHOGRAPHY, AND CIRCUIT PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-05-21 — — 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 (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-20200157060-A1 FILM FORMING MATERIAL, COMPOSITION FOR FILM FORMATION FOR LITHOGRAPHY, MATERIAL FOR OPTICAL COMPONENT FORMATION, RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, PERMANENT FILM FOR RESIST, RADIATION-SENSITIVE COMPOSITION, METHOD FOR PRODUCING AMORPHOUS FILM, UNDERLAYER FILM FORMING MATERIAL FOR LITHOGRAPHY, COMPOSITION FOR UNDERLAYER FILM FORMATION FOR LITHOGRAPHY, METHOD FOR PRODUCING UNDERLAYER FILM FOR LITHOGRAPHY, AND CIRCUIT PATTERN FORMATION METHOD RAD51, C5, UBE2G2 GCGR 910/4885MAPT 3127/4885MEN1 677/4885

“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.