SCHEMBL721540

SCHEMBL721540

Nc1ccc(CC=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ GFER P55789 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAOB P27338 4/20 0.44
▸ MAOA P21397 2/20 0.44
▸ RECQL P46063 1/20 0.41
▸ FDPS P14324 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA5 P08648 1/20 0.38
▸ CA12 O43570 1/20 0.38

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
SCHEMBL21816850 0.87 MAPT (0.58) ALDH1A1CYP3A4TDP1GFERTSHR
SCHEMBL14782754 0.87 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1GFERTSHR
SCHEMBL6364651 0.85 MAOB (0.40) ALDH1A1CYP3A4TDP1TSHRMEN1
SCHEMBL14666066 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1GFERTSHR
SCHEMBL13269343 0.79 TAAR1 (0.52) ALDH1A1TDP1TSHRLOXL2KMT2A
SCHEMBL10284341 0.78 HRH3 (0.52) LOXL2MAPTCA12CA1CA2
SCHEMBL1528689 0.77 GFER (0.59) ALDH1A1CYP3A4TDP1GFERTSHR
SCHEMBL3392101 0.77 HRH3 (0.43) TSHRMAOBCA12CA1CA2
SCHEMBL716339 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1GFERTSHR
SCHEMBL10436402 0.76 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1GFERTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684202-A 1, 4-Dihydropyridine derivative, and preparation method and application thereof 中国石油大学(华东) 2025-03-25 — — CN claimed
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 — — US claimed
CN-117327244-A Self-sensitization type radiochromic polyurethane elastomer and preparation method thereof 四川大学 2024-01-02 — — CN claimed
CN-108169481-B Test strip for detecting paeoniflorin and preparation method and application thereof 河北省中药材质量检验检测研究中心有限公司 2023-07-07 — — CN claimed
US-20210170037-A1 BRANCHED SUGAR ALCOHOL-BASED COMPOUNDS, AND COMPOSITIONS AND METHODS THEREOF CELLMOSAIC INC (US) 2021-06-10 — — US claimed
CN-112584871-A Branched sugar alcohol-based compounds and compositions and methods thereof 希默赛生物技术公司 2021-03-30 — — CN claimed
CN-108169481-A A kind of test strips for detecting Paeoniflorin and its preparation method and application 数字本草中医药检测有限公司 2018-06-15 — — CN claimed
CN-103232352-A (R)-4-(2-(2-hydroxyl-2-phenylethylamino)-ethyl) tert-butyl phenylcarbamate SUZHOU UUGENE BIOPHARMA CO LTD 2013-08-07 — — CN claimed
EP-0941120-A4 BRANCHED PEPTIDE LINKERS BRISTOL MYERS SQUIBB CO (US) 2004-08-18 — — EP claimed
US-6759509-B1 CONJUGATES CONTAINING A TARGETING LIGAND, SUCH AS AN ANTIBODY, A THERAPEUTICALLY ACTIVE DRUG AND A BRANCHED PEPTIDE LINKER BRISTOL-MYERS SQUIBB COMPANY 2004-07-06 — — US claimed
EP-0961619-A4 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL MYERS SQUIBB CO (US) 2001-09-26 — — EP claimed
EP-0961619-A1 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-08 — — EP claimed
EP-0941120-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-15 — — EP claimed
WO-1998019705-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 — — WO claimed
WO-1998013059-A1 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-02 — — WO claimed
WO-2025072462-A1 SULFONAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
CN-119684202-A 1, 4-Dihydropyridine derivative, and preparation method and application thereof 中国石油大学(华东) 2025-03-25 — — CN disclosed
US-5225532-A SYMMETRICAL BIPEPTIDES CONTAINING A POLYALKYLENE GLYCOL RESIDUE, METHOD OF PREPARATION AND USE IN THE ASSAY OF PROTEASES SERBIO (FR) 1993-07-06 — — US disclosed
EP-0280610-B1 DIPEPTIDES, PREPARATION PROCESS AND USE IN DOSING PROTEASES SERBIO (FR) 1992-10-21 — — EP disclosed
US-3957424-A Enzyme-activated oxidative process for coloring hair THE PROCTER & GAMBLE COMPANY (US) 1976-05-18 — — 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 (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-20210170037-A1 BRANCHED SUGAR ALCOHOL-BASED COMPOUNDS, AND COMPOSITIONS AND METHODS THEREOF SIGLEC7, CD44, SIGLEC9 ALDH1A1 112/4885CYP3A4 2720/4885TDP1 4139/4885
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF ADCY3, ADCY8, ADCY7 ALDH1A1 819/4885CYP3A4 4244/4885TDP1 1467/4885

“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.

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