Sugi Predict

Sugi Predict / Compounds / SCHEMBL109798

SCHEMBL109798

SCHEMBL109798

O=[N+]([O-])c1ccc(NCCO)c(OCCO)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ KMT2A Q03164 7/20 0.59
▸ CYP19A1 P11511 9/20 0.54
▸ ALDH1A1 P00352 6/20 0.53
▸ PKM P14618 1/20 0.51
▸ MEN1 O00255 5/20 0.49
▸ THRB P10828 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 1/20 0.46

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
SCHEMBL29392721 1.00 TSHR (1.00) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL5175179 0.93 TSHR (0.87) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL2469878 0.91 TSHR (0.83) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL4829755 0.89 TSHR (0.79) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL14940857 0.88 TDP1 (0.78) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL4824584 0.87 TSHR (0.77) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL28546780 0.86 TSHR (0.76) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL6003638 0.86 TDP1 (0.73) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL111537 0.84 TSHR (0.73) TSHRTDP1KMT2AALDH1A1PKM
SCHEMBL29390085 0.84 TSHR (0.73) TSHRTDP1KMT2AALDH1A1PKM

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 1091 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112708069-B Ester polycarboxylic acid water reducing agent with rust resistance function and preparation method thereof 科之杰新材料集团有限公司 2021-12-28 — — CN claimed
CN-112708070-B Ether-type polycarboxylic acid water reducer with rust resistance function and preparation method thereof 科之杰新材料集团有限公司 2021-12-28 — — CN claimed
CN-112708070-A Ether-type polycarboxylic acid water reducer with rust resistance function and preparation method thereof 科之杰新材料集团有限公司 2021-04-27 — — CN claimed
CN-112708069-A Ester polycarboxylic acid water reducing agent with rust resistance function and preparation method thereof 科之杰新材料集团有限公司 2021-04-27 — — CN claimed
CN-107880988-B Environment-friendly forming oil for stainless steel and preparation method thereof 广州市联诺化工科技有限公司 2021-02-09 — — CN claimed
CN-107815344-B Environment-friendly semisynthetic cutting fluid and preparation method thereof 广州市联诺化工科技有限公司 2020-08-25 — — CN claimed
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 — — EP claimed
US-20170273881-A1 COSMETIC COMPOSITION FOR KERATIN FIBRES ALFA PARF GROUP S.P.A. (IT) 2017-09-28 — — US claimed
WO-2016026710-A1 COSMETIC COMPOSITION FOR KERATIN FIBRES ALFA PARF GROUP S.P.A. (IT) 2016-02-25 — — WO claimed
EP-0999823-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2011-10-05 — — EP claimed
EP-0646108-B1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1998-10-14 — — EP claimed
EP-0867170-A2 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1998-09-30 — — EP claimed
EP-0646109-B1 NOVEL HYDROXYETHYLATED 2-NITRO-P-PHENYLENEDIAMINES AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1997-09-03 — — EP claimed
EP-0673926-B1 2-Nitro-p-phenylenediamines having a sulfur atom in position 5, process for their preparation, dye compositions containing them and their use for dyeing keratinic fibres OREAL (FR) 1997-04-09 — — EP claimed
US-5516942-A DIRECT DYES FOR HAIR FOR YELLOW OR PURPLE L'OREAL (FR) 1996-05-14 — — US claimed
EP-0480829-B1 Hair dyeing composition containing anthraquinones OREAL (FR) 1994-04-06 — — EP claimed
WO-1994000414-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 — — WO claimed
US-5226924-A 1,4-DI(MONO- OR POLY) HYDROXYALKYLAMINO-9,10-ANTHRAQUINONES FOR DYEING HUMAN KERATINOUS FIBRES, COSMETIC COMPOSITION CONTAINING THEM IN COMBINATION WITH AZO AND NITROBENZENE DYES, AND HAIR-DYEING PROCESS USING THEM L'OREAL (FR) 1993-07-13 — — US claimed
EP-0480829-A1 Hair dyeing composition containing anthraquinones L'OREAL (FR) 1992-04-15 — — EP claimed
US-4981486-A Washfast, lightfast; for bleached or permed hair L'OREAL (FR) 1991-01-01 — — US claimed

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-20170273881-A1 COSMETIC COMPOSITION FOR KERATIN FIBRES KRT18, GRHPR, CUTA TSHR 4753/4885TDP1 2197/4885KMT2A 899/4885

“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.