SCHEMBL21140376

SCHEMBL21140376

CC(=O)/C=C/C(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.44
LMNA P02545 4/20 0.43
MAPK1 P28482 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
APEX1 P27695 1/20 0.43
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.40
SRC P12931 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
POLB P06746 1/20 0.40
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
CYP1A2 P05177 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38
MTNR1A P48039 1/20 0.38

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
SCHEMBL28356664 0.82 TDP1 (0.50) TDP1GLAHPGDLMNAMAPK1
SCHEMBL5229224 0.80 TDP1 (0.48) TDP1GLAHPGDLMNAMAPK1
SCHEMBL5229228 0.80 TDP1 (0.48) TDP1GLAHPGDLMNAMAPK1
SCHEMBL2552516 0.79 HPGD (0.47) TDP1GLAHPGDLMNAMAPK1
SCHEMBL9656453 0.78 LMNA (0.46) LMNAMAPK1TSHRCYP2D6SRC
SCHEMBL9656438 0.78 LMNA (0.46) LMNAMAPK1TSHRCYP2D6SRC
SCHEMBL17518209 0.77 ALOX15 (0.41) TDP1GLAALOX15TSHRAPEX1
SCHEMBL22616865 0.74 MEN1 (0.60) GLALMNAMAPK1ALOX15TSHR
SCHEMBL18943205 0.74 TRPA1 (0.44) GLAHPGDLMNAMAPK1ALOX15
SCHEMBL95469 0.74 MEN1 (0.60) GLALMNAMAPK1ALOX15TSHR

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 TDP1 4128/4885GLA 1321/4885HPGD 1277/4885
US-10344038-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 TDP1 4317/4885GLA 1414/4885HPGD 1496/4885
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 TDP1 4128/4885GLA 1321/4885HPGD 1277/4885
US-10633392-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 TDP1 4317/4885GLA 1414/4885HPGD 1496/4885
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 TDP1 4128/4885GLA 1321/4885HPGD 1277/4885

“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.