SCHEMBL358494

SCHEMBL358494

C#CCc1c(F)c(F)c(COC(=O)C2C(C=C(C)C#N)C2(C)C)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 3/20 0.40
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA2A P08913 1/20 0.34
CNR1 P21554 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 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
SCHEMBL358493 1.00 TDP1 (0.51) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL9453382 0.89 TDP1 (0.51) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL13483229 0.89 TDP1 (0.55) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL13810599 0.89 TDP1 (0.55) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL14121616 0.88 TDP1 (0.55) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL14121614 0.88 TDP1 (0.55) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL1815554 0.88 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL2058737 0.88 TDP1 (0.65) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL10056746 0.88 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL10056745 0.88 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2

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-8461370-B2 Process for producing 3-(2-cyano-1-propenyl)-2,2- dimethylcyclopropanecarboxylic acid or salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-11 US disclosed
EP-2537828-A1 METHOD FOR PRODUCING CYANOALKENYLCYCLOPROPANECARBOXYLIC ACID SALT Sumitomo Chemical Company, Limited (JP) 2012-12-26 EP disclosed
US-20120310003-A1 METHOD FOR PRODUCING CYANOALKENYLCYCLOPROPANECARBOXYLIC ACID SALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-06 US disclosed
US-20120016150-A1 Process for Producing 3-(2-Cyano-1-propenyl)-2,2- Dimethylcyclopropanecarboxylic Acid or Salt Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
US-7662988-B2 Ester compound and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 US disclosed
US-7662988-B2 Ester compound and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 US disclosed
US-20090170936-A1 Ester Compound and Its Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-02 US disclosed
US-20090170936-A1 Ester Compound and Its Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-02 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 (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-20120310003-A1 METHOD FOR PRODUCING CYANOALKENYLCYCLOPROPANECARBOXYLIC ACID SALT MCCC2, AOC2, DDC TDP1 3723/4885MEN1 2951/4885KMT2A 1178/4885
US-20090170936-A1 Ester Compound and Its Use CYP51A1, CYP46A1, CES1 TDP1 3013/4885MEN1 1586/4885KMT2A 1089/4885
US-20120016150-A1 Process for Producing 3-(2-Cyano-1-propenyl)-2,2- Dimethylcyclopropanecarboxylic Acid or Salt Thereof CPS1, PCCA, PKD1 TDP1 3167/4885MEN1 1087/4885KMT2A 1950/4885

“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.