SCHEMBL21139852

SCHEMBL21139852

CC(=O)/C=C/C(O)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 4/20 0.47
PKM P14618 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PTPN1 P18031 1/20 0.47
PTPN7 P35236 1/20 0.47
BLM P54132 1/20 0.47
ESR2 Q92731 1/20 0.47
AGTR1 P30556 1/20 0.43
RECQL P46063 1/20 0.42
ALOX5 P09917 2/20 0.40
HSD17B10 Q99714 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
HTT P42858 2/20 0.36
HPGD P15428 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
SCHEMBL5804112 0.77 KMT2A (0.44) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL15942167 0.75 KMT2A (0.45) KMT2AALDH1A1MEN1MAPTTDP1
SCHEMBL18189083 0.75 ALDH1A1 (0.45) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL18189084 0.75 ALDH1A1 (0.45) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL525254 0.72
SCHEMBL18189010 0.72 GPR52 (0.50) KMT2AALDH1A1MEN1POLBPKM
SCHEMBL18189011 0.72 GPR52 (0.50) KMT2AALDH1A1MEN1POLBPKM
SCHEMBL21140376 0.72 TDP1 (0.48) KMT2AMAPTTDP1POLBHCAR2
SCHEMBL5319337 0.71 KMT2A (0.67) KMT2AALDH1A1MEN1MAPTTDP1
Urea SCHEMBL17075255 0.70 KMT2A (0.50) KMT2AALDH1A1MEN1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220513-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-11 US disclosed
US-20210009605-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-01-14 US disclosed
US-10633392-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-04-28 US disclosed
US-20200031843-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-01-30 US disclosed
US-10344038-B2 Chromium-mediated coupling and application to the synthesis of halichondrins PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-07-09 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 (5 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-11220513-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 KMT2A 718/4885ALDH1A1 999/4885MEN1 721/4885
US-10344038-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 KMT2A 861/4885ALDH1A1 998/4885MEN1 2126/4885
US-20210009605-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 KMT2A 718/4885ALDH1A1 999/4885MEN1 721/4885
US-10633392-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 KMT2A 861/4885ALDH1A1 998/4885MEN1 2126/4885
US-20200031843-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS CROCC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KAT7 KMT2A 718/4885ALDH1A1 999/4885MEN1 721/4885

“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.