SCHEMBL444515

SCHEMBL444515

Cc1ccc(C([O])(c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ACHE P22303 2/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
KIF11 P52732 8/20 0.47
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL11209930 0.89 TSHR (0.55) TSHRACHELMNACES2CES1
SCHEMBL42163 0.84 KCNN4 (0.47) TSHRKMT2AMAPTCA1CA2
SCHEMBL28312037 0.81 MAPK1 (0.46) TSHRKMT2AMAPTCA1CA2
SCHEMBL8671538 0.79 TSHR (0.57) TSHRACHELMNAALOX12KIF11
SCHEMBL9632111 0.79 TSHR (0.57) TSHRACHELMNAALOX12KIF11
SCHEMBL14276997 0.79 TSHR (0.57) TSHRACHELMNAALOX12KIF11
SCHEMBL9407670 0.77 TSHR (0.55) TSHRACHELMNAALOX12KIF11
SCHEMBL19200980 0.77 ESR1 (0.62) TSHRACHELMNAALOX12KIF11
SCHEMBL8784133 0.77 ESR1 (0.62) TSHRACHELMNAALOX12KIF11
SCHEMBL11087192 0.77 KIF11 (0.53) TSHRACHELMNAALOX12KIF11

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-8354524-B2 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-01-15 US disclosed
US-20120065387-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-03-15 US disclosed
US-7982030-B2 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-07-19 US disclosed
US-20100137573-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-06-03 US disclosed
US-7592446-B2 Useful in structural determinations, particularly by X-ray crystallographic techniques; useful as food supplements GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-09-22 US disclosed
WO-2008080060-A2 4-SE-THYMIDINE DERIVATIVES, 4-SE-URIDINE DERIVATIVES, DI (2-CYANOETHYL) DISELENIDE, AND METHODS GEORGIA STATE UNIVERSITY (US) 2008-07-03 WO disclosed
US-20030055016-A1 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-03-20 US disclosed
WO-2002077002-A2 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2002-10-03 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 (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-20030055016-A1 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids SELENOI, NT5C3B, RNGTT TSHR 1870/4885ACHE 2742/4885LMNA 1890/4885
US-20100137573-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS SELENOI, RNGTT, NT5C3B TSHR 1614/4885ACHE 2277/4885LMNA 2028/4885
US-20120065387-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS SELENOI, RNGTT, NT5C3B TSHR 1614/4885ACHE 2277/4885LMNA 2028/4885

“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.