SCHEMBL14816554

SCHEMBL14816554

CCOC(=O)/C=C/c1ccc(C(F)(F)F)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.57
DPP4 P27487 1/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAOB P27338 2/20 0.52
CYP3A4 P08684 1/20 0.51
FDPS P14324 1/20 0.50
ALOX5 P09917 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
APP P05067 5/20 0.45
NOTUM Q6P988 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
SCHEMBL798603 0.84 TTR (0.57) TTRDPP4CA12CA1CA2
SCHEMBL798602 0.84 TTR (0.57) TTRDPP4CA12CA1CA2
SCHEMBL10640485 0.83 TTR (0.66) TTRDPP4CA12CA1CA2
SCHEMBL10640496 0.83 TTR (0.66) TTRDPP4CA12CA1CA2
SCHEMBL9515291 0.83 TTR (0.66) TTRDPP4CA12CA1CA2
SCHEMBL14919962 0.83 TTR (0.58) TTRDPP4CA12CA1CA2
SCHEMBL14919959 0.83 TTR (0.58) TTRDPP4CA12CA1CA2
SCHEMBL1932621 0.82 TTR (0.61) TTRDPP4CA12CA1CA2
SCHEMBL1907799 0.82 TTR (0.61) TTRDPP4CA12CA1CA2
SCHEMBL28598572 0.82 TTR (0.64) TTRDPP4CA12CA1CA2

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
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
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
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

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-20170182046-A1 THERAPEUTIC COMPOUNDS PSEN1, PSEN2, MAPT TTR 804/4885DPP4 972/4885CA12 400/4885
US-20140343079-A1 THERAPEUTIC COMPOUNDS MAPT, PSEN1, PSEN2 TTR 609/4885DPP4 1374/4885CA12 289/4885

“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.