SCHEMBL6449285

SCHEMBL6449285

Cc1cc2c(cc1Br)C(C)(C)CC(=O)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
RXRA P19793 4/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
CYP26A1 O43174 1/20 0.31
ABCB11 O95342 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
SCHEMBL13717001 1.00 BCHE (0.38) BCHECES1RXRAHDAC3HDAC4
SCHEMBL4711216 0.79 PRKDC (0.38) RXRAALDH1A1HPGDPOLBL3MBTL1
SCHEMBL21238596 0.75 BCHE (0.37) BCHECES1RXRAHDAC3HDAC4
SCHEMBL3170254 0.75 RXRA (0.44) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL13716890 0.75 PGR (0.40) KDM4EALDH1A1HPGDMEN1PGR
SCHEMBL6455621 0.75 PGR (0.40) KDM4EALDH1A1HPGDMEN1PGR
SCHEMBL4712549 0.74 NPC1 (0.32)
SCHEMBL9860146 0.74 CMA1 (0.40) KDM4EALDH1A1HPGDKMT2ABACE1
SCHEMBL9860639 0.74 CMA1 (0.40) KDM4EALDH1A1HPGDKMT2ABACE1
SCHEMBL23753555 0.71 GRIN2D (0.34) ALDH1A1MEN1KMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391093-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-08-27 US disclosed
US-20170182046-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, a body Corporate of the State of Arizona, Acting for and on Behalf of Ariz (US) 2017-06-29 US disclosed
US-20170182046-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, a body Corporate of the State of Arizona, Acting for and on Behalf of Ariz (US) 2017-06-29 US disclosed
US-20170182046-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, a body Corporate of the State of Arizona, Acting for and on Behalf of Ariz (US) 2017-06-29 US disclosed
US-9573906-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-02-21 US disclosed
US-9573906-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-02-21 US disclosed
US-9573906-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-02-21 US disclosed
EP-2910549-A1 1,2,3,4-TETRAHYDRO-1,1,4,4-TETRAMETHYLNAPHTHALENE DERIVATIVES USEFUL AS RXR MODULATORS FOR TREATING ALZHEIMER'S DISEASE AND CANCER Arizona Board of Regents, a Body Corporate of the State of Arizona acting for and on behalf of Arizona State University (US) 2015-08-26 EP disclosed
EP-2910549-A1 1,2,3,4-TETRAHYDRO-1,1,4,4-TETRAMETHYLNAPHTHALENE DERIVATIVES USEFUL AS RXR MODULATORS FOR TREATING ALZHEIMER'S DISEASE AND CANCER Arizona Board of Regents, a Body Corporate of the State of Arizona acting for and on behalf of Arizona State University (US) 2015-08-26 EP disclosed
US-20140343079-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, A body corporate of the State of Arizona, acting for and on 2014-11-20 US disclosed
US-20140343079-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, A body corporate of the State of Arizona, acting for and on 2014-11-20 US disclosed
US-20140343079-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, A body corporate of the State of Arizona, acting for and on 2014-11-20 US disclosed
EP-2755942-A2 THERAPEUTIC COMPOUNDS Arizona Board of Regents, a Body Corporate of the State of Arizona acting for and on behalf of Arizona State University (US) 2014-07-23 EP disclosed
WO-2013040227-A2 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2013-03-21 WO disclosed
US-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases INCYTE CORPORATION 2005-02-17 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 (4 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-10391093-B2 Therapeutic compounds PSEN1, PSEN2, MAPT BCHE 19/4885CES1 2286/4885RXRA 3433/4885
US-20170182046-A1 THERAPEUTIC COMPOUNDS PSEN1, PSEN2, MAPT BCHE 19/4885CES1 2286/4885RXRA 3433/4885
US-20050038098-A1 Substituted dihydronaphthalene and isochroman compounds for the treatment of metabolic disorders, cancer and other diseases HSD17B10, IDH2, INSR BCHE 3556/4885CES1 238/4885RXRA 1054/4885
US-20140343079-A1 THERAPEUTIC COMPOUNDS MAPT, PSEN1, PSEN2 BCHE 17/4885CES1 2562/4885RXRA 3109/4885

“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.