SCHEMBL12795992

SCHEMBL12795992

CC(C)c1cc(C(C)C)n(C(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31

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
SCHEMBL12342530 0.75 FABP3 (0.31) FABP3FABP4
SCHEMBL18950280 0.73 TP53 (0.31)
SCHEMBL21565625 0.70
SCHEMBL25129108 0.69 TYR (0.39)
SCHEMBL22252035 0.69 BMPR1B (0.36)
SCHEMBL20674834 0.67 KDM4E (0.40)
SCHEMBL10119732 0.65 PTGS2 (0.47)
SCHEMBL22252037 0.65 HDAC4 (0.43)
SCHEMBL18198118 0.64 PTGS2 (0.34)
SCHEMBL25128568 0.63 MAPK1 (0.39)

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
EP-3568133-B1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH ZUERICH (CH) 2023-12-13 EP disclosed
WO-2019179890-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH ZURICH (CH) 2019-09-26 WO disclosed
EP-3543231-A1 COMPOUNDS FOR TREATING CNS- AND NEURODEGENERATIVE DISEASES ETH Zurich (CH) 2019-09-25 EP disclosed
WO-2018130537-A1 CELL-PROTECTIVE COMPOUNDS AND THEIR USE ETH Zürich (CH) 2018-07-19 WO disclosed
US-9676763-B2 Method of treating Ebola PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-13 US disclosed
US-9676763-B2 Method of treating Ebola PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-13 US disclosed
US-20160024066-A1 Small Molecule Inhibitors of Ebola and Lassa Fever Viruses and Methods of Use THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2016-01-28 US disclosed
US-9193705-B2 Small molecule inhibitors of ebola and lassa fever viruses and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-24 US disclosed
US-20130231332-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-09-05 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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 (3 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-20160024066-A1 Small Molecule Inhibitors of Ebola and Lassa Fever Viruses and Methods of Use LASP1, LAS1L, HSP90B1 FABP3 1763/4885FABP4 1842/4885
US-20130231332-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE LASP1, LAS1L, HSP90B1 FABP3 1763/4885FABP4 1842/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 FABP3 1359/4885FABP4 1293/4885

“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.