SCHEMBL7526762

SCHEMBL7526762

O=CCCCCC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
EPHX2 P34913 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
NOTUM Q6P988 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL15633893 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL7364954 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL11843358 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL9098838 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL20154786 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL9097633 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL9099300 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL9099781 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL9096777 0.98 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL16330124 0.95 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110312730-B Cytotoxins and conjugates, uses thereof and methods of preparation 四川科伦博泰生物医药股份有限公司 2024-06-18 CN disclosed
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
EP-4204441-A1 INSULIN RECEPTOR PARTIAL AGONISTS Merck Sharp & Dohme LLC (US) 2023-07-05 EP disclosed
CN-116368146-A Novel ligands for asialoglycoprotein receptors 赛诺菲 2023-06-30 CN disclosed
US-11560395-B2 Azithromycin derivatives containing a phosphonium ion as anticancer agents RISING TIDE FOUND (CH) 2023-01-24 US disclosed
EP-3612543-B1 AZITHROMYCIN DERIVATIVES CONTAINING A PHOSPHONIUM ION AS ANTICANCER AGENTS RISING TIDE FOUND (CH) 2022-11-23 EP disclosed
WO-2022046739-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-03-03 WO disclosed
US-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
EP-3052134-B1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME (US) 2021-05-05 EP disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 US disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180897-B1 5-FLUOROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP 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 (4 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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 ALDH1A1 3938/4885MAPK1 4069/4885L3MBTL1 312/4885
US-11560395-B2 Azithromycin derivatives containing a phosphonium ion as anticancer agents NUP205, PHPT1, PHOSPHO1 ALDH1A1 4622/4885MAPK1 2237/4885L3MBTL1 3967/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 ALDH1A1 3938/4885MAPK1 4069/4885L3MBTL1 312/4885
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 ALDH1A1 4716/4885MAPK1 3170/4885L3MBTL1 3741/4885

“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.