SCHEMBL9099781

SCHEMBL9099781

O=CCCCCCCC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
EPHX2 P34913 1/20 0.48
HCAR2 Q8TDS4 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
LMNA P02545 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
LPAR1 Q92633 3/20 0.44
HTT P42858 1/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42

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 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL20154786 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL11843358 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL9098838 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL7364954 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL9097633 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL9096777 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL9099300 1.00 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL7526762 0.98 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1EPHX2HCAR2
SCHEMBL16330120 0.94 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310486-A1 CONJUGATED OLIGONUCLEOTIDE COMPOUNDS, METHODS OF MAKING AND USES THEREOF E-THERAPEUTICS PLC (GB) 2023-10-05 US disclosed
EP-0323441-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP 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
US-3976660-A Pyrrolidine derivatives E. R. SQUIBB & SONS, INC. (US) 1976-08-24 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 (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-20230310486-A1 CONJUGATED OLIGONUCLEOTIDE COMPOUNDS, METHODS OF MAKING AND USES THEREOF DCLRE1B, POLRMT, POLI ALDH1A1 1107/4885MAPK1 4669/4885L3MBTL1 382/4885

“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.