SCHEMBL18152073

SCHEMBL18152073

COC(=O)c1cc(-c2ccc(COc3cccc(C(F)(F)F)c3)cc2)c(C(C)C)cc1NC(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
PTPN7 P35236 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
LRRK2 Q5S007 2/20 0.40
PTGES O14684 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
F10 P00742 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL18151723 0.95 KDM4E (0.46) KDM4EMAPTALDH1A1HPGDRXFP1
SCHEMBL18151705 0.93 EGFR (0.45) EGFRHDAC1HDAC2RXFP1LRRK2
SCHEMBL18174100 0.90 PTGES (0.41) MAPTPTPN7LRRK2PTGESF10
SCHEMBL18152539 0.89 MAPK14 (0.46) RXFP1MAOBMAPK14
SCHEMBL18164430 0.89 EGFR (0.45) EGFRHDAC1HDAC2RXFP1LRRK2
SCHEMBL18151710 0.87 ADAMTS4 (0.45) KDM4EMAPTPTGESMEN1KMT2A
SCHEMBL18174146 0.85 GPR34 (0.41) MAPTPTGESF10MAOBMAPK14
SCHEMBL18164448 0.85 KDM4E (0.47) KDM4EMAPTALDH1A1HPGDHDAC1
SCHEMBL18164593 0.83 MRGPRX4 (0.48) RXFP1MAOBMAPK14
SCHEMBL18174017 0.83 CTSV (0.46) PTGES

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 EGFR 2343/4885KDM4E 1423/4885MAPT 2878/4885

“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.