SCHEMBL41505

SCHEMBL41505

CCCN(CCC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA9 Q16790 5/20 0.55
CA2 P00918 3/20 0.55
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
CA1 P00915 5/20 0.46
TP53 P04637 1/20 0.44
FFAR3 O14843 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MLYCD O95822 1/20 0.36
MMP1 P03956 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
Bromide SCHEMBL11753648 0.97 CA12 (0.52) CA12CA9CA2TSHRMAPK1
Hydrochloric Acid SCHEMBL10822973 0.97 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL28055193 0.89 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL77048 0.89 CA12 (0.46) CA12CA9CA2TSHRMAPK1
SCHEMBL5133203 0.89 CA12 (0.54) CA12CA9CA2TSHRMAPK1
SCHEMBL331800 0.88
SCHEMBL9243432 0.87 CA12 (0.44) CA12CA9CA2TSHRMAPK1
Hydrochloric Acid SCHEMBL10822852 0.87 CA12 (0.52) CA12CA9CA2TSHRMAPK1
SCHEMBL10828233 0.87 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL28111878 0.87 CA12 (0.46) CA12CA9CA2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945960-A2 ABIRATERONE AND ANALOGS THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CORTISOL OVERPRODUCTION Cortendo AB (publ) (US) 2015-11-25 EP claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014111815-A2 ABIRATERONE AND ANALOGS THEREOF FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CORTISOL OVERPRODUCTION CORTENDO AB (PUBL) (US) 2014-07-24 WO claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
US-20040116297-A1 Use of polyprenol and its derivatives for facilitating growth of plants KWON SEONG-RYONG (KR) 2004-06-17 US claimed
EP-0885239-B1 NOVEL STEROID CARBAMATES AS POTENTIATING AGENTS BATRA SATISH (SE) 2002-08-07 EP claimed
US-5387631-A A dinitro-, diaminoalkane rubber component; rebound resilience, skid resistance and fuel savings THE YOKOHAMA RUBBER CO., LTD. (JP) 1995-02-07 US claimed
US-4822844-A MODIFIED WITH NITROGEN COMPOUND CONTAINING EITHER OXYGEN OR SULFUR AS BRANCHING OR END GROUP THE YOKOHAMA RUBBER CO., LTD. (JP) 1989-04-18 US claimed
US-20250179103-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. 2025-06-05 US disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2024128000-A1 ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE 東京応化工業株式会社 2024-06-20 WO disclosed
WO-2023164680-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. (US) 2023-08-31 WO disclosed
CN-116606212-A Method for economically and continuously preparing tertiary amine 浙江新化化工股份有限公司 2023-08-18 CN disclosed
US-4599329-A O,S-dialkyl S-[carbamyloxyalkyl] dithiophosphates and their use as pesticides BASF AKTIENGESELLSCHAFT (DE) 1986-07-08 US disclosed
EP-0054753-B1 POLYPRENYL COMPOSITION OR COMPOUNDS AND PROCESS FOR THE PRODUCTION THEREOF KURARAY CO., LTD. (JP) 1985-07-24 EP disclosed
EP-0131998-A1 Process for the preparation of ethanol and/or ethyl acetate SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-01-23 EP disclosed
EP-0054753-A1 Polyprenyl composition or compounds and process for the production thereof KURARAY CO., LTD. (JP) 1982-06-30 EP disclosed
US-4239904-A Process for the preparation of urethanes ATLANTIC RICHFIELD COMPANY (US) 1980-12-16 US disclosed
US-3938986-A ISOPROPYL N-PHENYLCARBAMATE OR ISOPROPYL N-(3-CHLOROPHENYL)CARBAMATE AND 4-CHLOROPHENYL N-METHYLCARBAMATE PPG INDUSTRIES, INC. (US) 1976-02-17 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-20250179103-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS STAT6, STAT3, STAT1 CA12 2563/4885CA9 1413/4885CA2 1174/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD CA12 2197/4885CA9 1495/4885CA2 341/4885

“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.