SCHEMBL3338353

SCHEMBL3338353

CC(C)N(C(C)C)C(C)c1ccccc1.OBO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MTOR P42345 1/20 0.41
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39
AOC3 Q16853 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TRPA1 O75762 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL8433241 0.91 ALOX5 (0.47) ALOX5KDM4EALDH1A1MTORMEN1
SCHEMBL24176558 0.86 ALOX5 (0.47) ALOX5KDM4EALDH1A1MTORMEN1
SCHEMBL24176561 0.86 ALOX5 (0.47) ALOX5KDM4EALDH1A1MTORMEN1
SCHEMBL6136637 0.77 ALOX5 (0.53) ALOX5KDM4EALDH1A1MTORMEN1
Isopropylbenzene SCHEMBL1513593 0.74 ADRA2C (0.46) KDM4EALDH1A1MEN1CYP2C9KMT2A
SCHEMBL14020381 0.73 ALOX5 (0.48) ALOX5KDM4EALDH1A1ADRA2AADRA2C
SCHEMBL11215910 0.72 ALOX5 (0.57) ALOX5KDM4EALDH1A1MTORMEN1
SCHEMBL13532093 0.72 HTR2A (0.48) ALOX5KDM4EALDH1A1MTORMEN1
SCHEMBL24176997 0.72 KDM4E (0.41) ALOX5KDM4EALDH1A1ADRA2AADRA2C
SCHEMBL3693507 0.72 ALOX5 (0.47) ALOX5KDM4EALDH1A1MTORMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748826-B2 Radioimaging methods using teboroxime and thallium BIOSENSOR INTERNATIONAL GROUP, LTD. (BM) 2014-06-10 US disclosed
US-20140037541-A1 RADIOIMAGING METHODS USING TEBOROXIME AND THALLIUM BIOSENSOR INTERNATIONAL GROUP LTD. (BM) 2014-02-06 US disclosed
US-8610075-B2 Radioimaging applications of and novel formulations of teboroxime BIOSENSORS INTERNATIONAL GROUP LTD. (BM) 2013-12-17 US disclosed
US-8481946-B2 2013-07-09 US disclosed
US-20100140483-A1 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME Spectrum Dynamics Medical Limited (VG) 2010-06-10 US disclosed
EP-0199260-B1 BORONIC ACID ADDUCTS OF TECHNETIUM-99M DIOXIME COMPLEXES E.R. Squibb & Sons, Inc. (US) 1989-12-06 EP disclosed
US-4705849-A Boronic acid adducts of technetium-99m dioxime complexes E. R. SQUIBB & SONS, INC. (US) 1987-11-10 US disclosed
EP-0199260-A2 Boronic acid adducts of technetium-99M dioxime complexes E.R. Squibb & Sons, Inc. (US) 1986-10-29 EP 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-20140037541-A1 RADIOIMAGING METHODS USING TEBOROXIME AND THALLIUM TPO, THRB, SLC6A12 ALOX5 3538/4885KDM4E 1856/4885ALDH1A1 2613/4885
US-20100140483-A1 RADIOIMAGING APPLICATIONS OF AND NOVEL FORMULATIONS OF TEBOROXIME TNNI3, TNNT2, IDO1 ALOX5 3156/4885KDM4E 322/4885ALDH1A1 3124/4885

“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.