SCHEMBL15330447

SCHEMBL15330447

OB(O)c1ccccc1COc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LIPE Q05469 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1B P28222 7/20 0.47
HTR1D P28221 2/20 0.46
MCL1 Q07820 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL29956707 1.00 KDM4E (0.50) KDM4EMEN1KMT2ALIPEALDH1A1
SCHEMBL9574720 0.83 HTR1B (0.58) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL9446245 0.81 MEN1 (0.64) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2558478 0.79 GPR84 (0.46) KDM4EMEN1KMT2ALIPEALDH1A1
SCHEMBL2560333 0.79 LIPE (0.53) KDM4EMEN1KMT2ALIPEALDH1A1
SCHEMBL18164436 0.79 CDK4 (0.51) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL2559915 0.79 LIPE (0.53) KDM4EMEN1KMT2ALIPEALDH1A1
SCHEMBL2558624 0.79 ENPP2 (0.58) LIPECYP1A2
SCHEMBL2554822 0.78 LIPE (0.49) MEN1KMT2ALIPEALDH1A1TDP1
SCHEMBL2561187 0.78 TP53 (0.56) KDM4EMEN1KMT2ALIPEALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3285583-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2021-03-17 EP disclosed
EP-3285583-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF The Regents of The University of Michigan (US) 2018-02-28 EP disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
WO-2016172218-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-27 WO disclosed
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 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 (2 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-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 KDM4E 4270/4885MEN1 4590/4885KMT2A 4328/4885
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 KDM4E 1423/4885MEN1 494/4885KMT2A 969/4885

“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.