SCHEMBL14918648

SCHEMBL14918648

CC(C)(O)C#Cc1ccc2c3c(cccc13)C(=O)OC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 10/20 0.47
▸ POLB P06746 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ PABPC1 P11940 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMARCA2 P51531 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ ERCC1 P07992 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
SCHEMBL17172502 0.80 TYMS (0.53) TYMSPOLBKMT2AMEN1TDP1
SCHEMBL19720186 0.75 L3MBTL1 (0.37) POLBLMNAHTTCYP1A2TSHR
SCHEMBL15843910 0.75 TYMS (0.50) TYMSPOLBKMT2AMEN1TDP1
SCHEMBL12296930 0.73 TYMS (0.45) TYMSPOLBKMT2AMEN1TDP1
SCHEMBL18069179 0.72 TYMS (0.44) TYMSPOLBKMT2AMEN1TDP1
SCHEMBL26555003 0.72 TYMS (0.44) TYMSPOLBKMT2AMEN1USP2
SCHEMBL18069189 0.72 TYMS (0.46) TYMSPOLBKMT2AMEN1KDM4E
SCHEMBL31087627 0.71 TYMS (0.43) TYMSPOLBKMT2AMEN1TDP1
SCHEMBL19404611 0.71 BRD1 (0.63) —
SCHEMBL10103862 0.71 ALDH1A1 (0.43) POLBKMT2AMEN1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350081-A1 INSECT G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME US ARMY, SECRETARY OF THE ARMY 2014-11-27 — — US disclosed
WO-2013067519-A2 INSECT AND TICK G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME PURDUE RESEARCH FOUNDATION (US) 2013-05-10 — — 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 (1 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-20140350081-A1 INSECT G-COUPLED RECEPTORS USEFUL AS TARGETS FOR INSECTICIDES AND COMPOUNDS AND REAGENTS IDENTIFIED USING THE SAME DDT, ADRA2C, MCHR1 TYMS 4174/4885POLB 3329/4885KMT2A 2080/4885

“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.

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