SCHEMBL359326

SCHEMBL359326

COCc1c(F)c(F)c(COC(=O)[C@@H]2[C@@H](C=C(C)C#N)C2(C)C)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2A P08913 1/20 0.35
CNR1 P21554 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.32

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
SCHEMBL12078854 1.00 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL74729 1.00 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL74728 1.00 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL1812630 1.00 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL14502943 1.00 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL1815554 1.00 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL12078772 1.00 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843251 0.95 TDP1 (0.49) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29843327 0.95 TDP1 (0.54) TDP1MEN1KMT2ALMNACYP1A2
SCHEMBL29911420 0.94 TDP1 (0.51) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139340-B1 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING A PEST SUMITOMO CHEMICAL CO (JP) 2013-04-10 EP disclosed
US-8263797-B2 Method for producing cyclopropane carboxylic acid compound and intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-11 US disclosed
US-20120225917-A1 PEST CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-06 US disclosed
US-8114897-B2 Pesticidal composition and method for controlling a pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-14 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-7968598-B2 Pesticides; 4-methoxy- or 4-allyl-2,3,5,6-tetrafluorobenzyl (1R)-trans-3-(2-cyano-1-propenyl)-2,2-dimethylcyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
US-20100280267-A1 METHOD FOR PRODUCING CYCLOPROPANE CARBOXYLIC ACID COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 US disclosed
US-20100035985-A1 Ester Compound and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20100016384-A1 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING A PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-21 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 (4 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-20100280267-A1 METHOD FOR PRODUCING CYCLOPROPANE CARBOXYLIC ACID COMPOUND AND INTERMEDIATE THEREFOR FAR1, CYP51A1, CYP4A11 TDP1 3924/4885MEN1 1566/4885KMT2A 2936/4885
US-20120225917-A1 PEST CONTROL COMPOSITION CTRL, CRY1, C5 TDP1 4341/4885MEN1 1986/4885KMT2A 861/4885
US-20100035985-A1 Ester Compound and Use Thereof CYP51A1, CYP4A11, CYP2E1 TDP1 4255/4885MEN1 1313/4885KMT2A 1549/4885
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.