Sugi Predict

Sugi Predict / Compounds / SCHEMBL21704671

SCHEMBL21704671

SCHEMBL21704671

c1cc(N(CC2CO2)CC2CO2)ccc1OCCCOc1ccc(N(CC2CO2)CC2CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.41
▸ TP53 P04637 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTR1A P08908 2/20 0.34
▸ PTGES O14684 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1A P35348 1/20 0.34

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
SCHEMBL21704619 0.95 TDP1 (0.42) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL12471538 0.91 APP (0.38) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL24048981 0.88 TDP1 (0.42) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL21716605 0.87 LMNA (0.35) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL23505258 0.87 ALDH1A1 (0.38) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL15246779 0.86 TDP1 (0.58) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL27630 0.86 TDP1 (0.58) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL13811429 0.86 TDP1 (0.58) TDP1TP53TSHRALDH1A1MAPT
SCHEMBL12002403 0.86 TDP1 (0.58) TDP1TP53TSHRALDH1A1MAPT
Water SCHEMBL936895 0.85 TDP1 (0.56) TDP1TP53TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319404-B2 Epoxy compound, epoxy resin, epoxy resin composition, cured resin product, prepreg, fiber-reinforced composite material, and production methods for these TEIJIN LIMITED (JP) 2022-05-03 — — US disclosed
US-20210292471-A1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHODS FOR THESE TEIJIN LIMITED (JP) 2021-09-23 — — US disclosed
WO-2020032091-A1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHOD FOR THESE 帝人株式会社 2020-02-13 — — 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 (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-11319404-B2 Epoxy compound, epoxy resin, epoxy resin composition, cured resin product, prepreg, fiber-reinforced composite material, and production methods for these RER1, CBR3, CBR1 TDP1 3718/4885TP53 4666/4885TSHR 3440/4885
US-20210292471-A1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHODS FOR THESE RER1, CBR3, CBR1 TDP1 3703/4885TP53 4672/4885TSHR 3372/4885

“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.