SCHEMBL18189010

SCHEMBL18189010

O=C(/C=C/C(O)c1ccco1)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.50
HPGD P15428 1/20 0.45
MIF P14174 1/20 0.43
ALOX5 P09917 2/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
AGTR1 P30556 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN7 P35236 1/20 0.41
BLM P54132 1/20 0.41
ESR2 Q92731 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
SCHEMBL18189011 1.00 GPR52 (0.50) GPR52HPGDMIFALOX5KMT2A
SCHEMBL18189224 0.81 GPR52 (0.57) GPR52ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL18189225 0.81 GPR52 (0.57) GPR52ALOX5NPC1RAB9ASMN1; SMN2
SCHEMBL18189084 0.77 ALDH1A1 (0.45) HPGDKMT2APOLBMEN1ALDH1A1
SCHEMBL18189083 0.77 ALDH1A1 (0.45) HPGDKMT2APOLBMEN1ALDH1A1
SCHEMBL21139852 0.72 KMT2A (0.49) HPGDMIFALOX5KMT2APOLB
SCHEMBL18199962 0.71 KMT2A (0.35) MIFKMT2APOLBMEN1AGTR1
SCHEMBL18189208 0.71 KMT2A (0.35) MIFKMT2APOLBMEN1AGTR1
SCHEMBL18189210 0.71 KMT2A (0.35) MIFKMT2APOLBMEN1AGTR1
SCHEMBL7426208 0.71 GPR52 (0.74) GPR52ALOX5SMN1; SMN2ALDH1A1TRPV1

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 12 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-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-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-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-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
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
WO-2016176560-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-03 WO disclosed
WO-2016176560-A1 CHROMIUM-MEDIATED COUPLING AND APPLICATION TO THE SYNTHESIS OF HALICHONDRINS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-03 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 (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 GPR52 2049/4885HPGD 1277/4885MIF 4011/4885
US-10344038-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 GPR52 2044/4885HPGD 1496/4885MIF 1561/4885
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 GPR52 2049/4885HPGD 1277/4885MIF 4011/4885
US-10633392-B2 Chromium-mediated coupling and application to the synthesis of halichondrins CA9, CROCC, CHD9 GPR52 2044/4885HPGD 1496/4885MIF 1561/4885
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 GPR52 2049/4885HPGD 1277/4885MIF 4011/4885

“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.