SCHEMBL20610741

SCHEMBL20610741

COc1ccc(CCC(=O)CCCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.51
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 1/20 0.48
EGFR P00533 1/20 0.47
FKBP1A P62942 1/20 0.47
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.43
BMP1 P13497 1/20 0.43
PKM P14618 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
SCHEMBL8780852 0.86 FKBP1A (0.53) ALDH1A1KMT2AEGFRFKBP1AMAPT
SCHEMBL2333789 0.85 ALDH1A1 (0.51) ALDH1A1EGFRFKBP1ALMNAL3MBTL1
SCHEMBL6803332 0.83 ALDH1A1 (0.55) ALDH1A1KMT2AEGFRFKBP1ALMNA
SCHEMBL8710128 0.80 ALDH1A1 (0.51) ALDH1A1EGFRFKBP1ALMNAMAPT
SCHEMBL3685139 0.79 PSMD10 (0.48) ALDH1A1KMT2AFKBP1ALMNAPKM
SCHEMBL18934371 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AFKBP1ALMNA
SCHEMBL2567795 0.77 ALDH1A1 (0.47) ALDH1A1KMT2AFKBP1ALMNA
SCHEMBL6530245 0.77 ALDH1A1 (0.55) ALDH1A1EGFRLMNAMAPTBCHE
SCHEMBL20221728 0.76 ALDH1A1 (0.53) F2RL1ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL13508559 0.76 IDO1 (0.48) ALDH1A1KMT2ALMNAL3MBTL1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515685-A Synthesis of halichondrin 哈佛大学的校长及成员们 2024-08-20 CN disclosed
CN-111433211-B Synthesis of halichondrin 哈佛大学的校长及成员们 2024-05-07 CN disclosed
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 US disclosed
EP-4169924-A2 SYNTHESIS OF HALICHONDRINS President And Fellows Of Harvard College (US) 2023-04-26 EP disclosed
US-11548898-B2 Synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-01-10 US disclosed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 EP disclosed
US-20210230177-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-07-29 US disclosed
CN-111433211-A Synthesis of halichondrin 哈佛大学的校长及成员们 2020-07-17 CN disclosed
EP-3649135-A1 SYNTHESIS OF HALICHONDRINS President and Fellows of Harvard College (US) 2020-05-13 EP disclosed
WO-2019010363-A1 SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-01-10 WO 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 (3 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-11548898-B2 Synthesis of halichondrins H1-3, NISCH, H1-5 F2RL1 4323/4885ALDH1A1 1798/4885KMT2A 91/4885
US-20230128195-A1 SYNTHESIS OF HALICHONDRINS H1-3, NISCH, HDAC11 F2RL1 4305/4885ALDH1A1 1842/4885KMT2A 90/4885
US-20210230177-A1 SYNTHESIS OF HALICHONDRINS H1-3, NISCH, HDAC11 F2RL1 4314/4885ALDH1A1 1776/4885KMT2A 72/4885

“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.